4-[3-(methylamino)pyrrolidin-1-yl]-6-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine

C14H23N5O — CID 24995881

IUPAC4-[3-(methylamino)pyrrolidin-1-yl]-6-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
SMILESCNC1CCN(c2cc(C[C@H]3CCCO3)nc(N)n2)C1
InChIInChI=1S/C14H23N5O/c1-16-10-4-5-19(9-10)13-8-11(17-14(15)18-13)7-12-3-2-6-20-12/h8,10,12,16H,2-7,9H2,1H3,(H2,15,17,18)/t10?,12-/m1/s1
InChIKeyMUCARIDCCNZIDB-TVKKRMFBSA-N
MW277.37 g/mol
LogP0.58
Rot. Bonds4

About 4-[3-(methylamino)pyrrolidin-1-yl]-6-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine

4-[3-(methylamino)pyrrolidin-1-yl]-6-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine (PubChem CID 24995881) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[3-(methylamino)pyrrolidin-1-yl]-6-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(methylamino)pyrrolidin-1-yl]-6-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
PubChem CID24995881
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name4-[3-(methylamino)pyrrolidin-1-yl]-6-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
SMILESCNC1CCN(c2cc(C[C@H]3CCCO3)nc(N)n2)C1
InChIInChI=1S/C14H23N5O/c1-16-10-4-5-19(9-10)13-8-11(17-14(15)18-13)7-12-3-2-6-20-12/h8,10,12,16H,2-7,9H2,1H3,(H2,15,17,18)/t10?,12-/m1/s1
InChIKeyMUCARIDCCNZIDB-TVKKRMFBSA-N
XLogP0.58
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(cyclopentylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 42623737
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 53377888
4-[3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine
CID 66740771
4-[3-(methylamino)pyrrolidin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine
CID 66741197
4-N-(cyclopropylmethyl)-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine
CID 91003699
4-methyl-6-[4-[4-[(2S)-oxolan-2-yl]butylamino]piperidin-1-yl]pyrimidin-2-amine
CID 97206452
4-N-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine;hydrochloride
CID 162341551
4-[3-(methylamino)azetidin-1-yl]-6-(2-methylpropoxymethyl)pyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(propan-2-yloxymethyl)pyrimidin-2-amine
CID 162252566
4-(2-adamantyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 59777293
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylcyclopropyl)pyrimidine-2,4-diamine
CID 24745834
4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 42623810
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 159912281

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)pyrrolidin-1-yl]-6-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-[3-(methylamino)pyrrolidin-1-yl]-6-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine (CID 24995881) is 4-[3-(methylamino)pyrrolidin-1-yl]-6-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(methylamino)pyrrolidin-1-yl]-6-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-[3-(methylamino)pyrrolidin-1-yl]-6-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine is CNC1CCN(c2cc(C[C@H]3CCCO3)nc(N)n2)C1.
What is the InChIKey of 4-[3-(methylamino)pyrrolidin-1-yl]-6-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is MUCARIDCCNZIDB-TVKKRMFBSA-N. The full InChI is InChI=1S/C14H23N5O/c1-16-10-4-5-19(9-10)13-8-11(17-14(15)18-13)7-12-3-2-6-20-12/h8,10,12,16H,2-7,9H2,1H3,(H2,15,17,18)/t10?,12-/m1/s1.
What are the key properties of 4-[3-(methylamino)pyrrolidin-1-yl]-6-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
4-[3-(methylamino)pyrrolidin-1-yl]-6-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 277.37 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)pyrrolidin-1-yl]-6-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 24995881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).