4-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-amine

C14H21N3O4 — CID 11737990

IUPAC4-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-amine
SMILESCC1(C)O[C@H]([C@H]2COC(C)(C)O2)[C@@H](c2ccnc(N)n2)O1
InChIInChI=1S/C14H21N3O4/c1-13(2)18-7-9(19-13)11-10(20-14(3,4)21-11)8-5-6-16-12(15)17-8/h5-6,9-11H,7H2,1-4H3,(H2,15,16,17)/t9-,10-,11-/m1/s1
InChIKeyMREFKBNIOBLVQE-GMTAPVOTSA-N
MW295.34 g/mol
LogP1.40
Rot. Bonds2

About 4-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-amine

4-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-amine (PubChem CID 11737990) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-amine
PubChem CID11737990
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name4-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-amine
SMILESCC1(C)O[C@H]([C@H]2COC(C)(C)O2)[C@@H](c2ccnc(N)n2)O1
InChIInChI=1S/C14H21N3O4/c1-13(2)18-7-9(19-13)11-10(20-14(3,4)21-11)8-5-6-16-12(15)17-8/h5-6,9-11H,7H2,1-4H3,(H2,15,16,17)/t9-,10-,11-/m1/s1
InChIKeyMREFKBNIOBLVQE-GMTAPVOTSA-N
XLogP1.40
TPSA88.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-amine with MolForge

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Related Compounds

5,10,15,20-tetrakis[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-21,22-dihydroporphyrin
CID 11766708
(6S,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 90733947
(3aS,6R,6aR)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 7107167
2-[[(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-1,3-benzothiazole
CID 71559484
(4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-[(2R)-3-methyloxiran-2-yl]-1,3-dioxolane
CID 102250343
(1R)-1-[(4R,5R)-2,2-dimethyl-5-[10,15,20-tris[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-21,22-dihydroporphyrin-5-yl]-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 10328760
(1R)-1-[(4R,5R)-5-[15-[(4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-10,20-bis[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-21,24-dihydroporphyrin-5-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 10418571
2-[(3aR,4S,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1H-pyrrole
CID 10244821
(3aS,4R,6R,6aR)-6-benzyl-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 59585327
(4S,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(Z)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2-dimethyl-1,3-dioxolane
CID 101004851
4-[[(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxymethyl]aniline
CID 122198717
(3aR,4R,7R,7aR)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-hydroxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-one
CID 14466796

Frequently Asked Questions

What is the IUPAC name of 4-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-amine (CID 11737990) is 4-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-amine is CC1(C)O[C@H]([C@H]2COC(C)(C)O2)[C@@H](c2ccnc(N)n2)O1.
What is the InChIKey of 4-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-amine?
The InChIKey is MREFKBNIOBLVQE-GMTAPVOTSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-13(2)18-7-9(19-13)11-10(20-14(3,4)21-11)8-5-6-16-12(15)17-8/h5-6,9-11H,7H2,1-4H3,(H2,15,16,17)/t9-,10-,11-/m1/s1.
What are the key properties of 4-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-amine?
4-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-amine has a molecular weight of 295.34 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 11737990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).