4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol

C13H24N4O — CID 113499719

IUPAC4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol
SMILESCC(O)CCN(C)c1ncc(CNC(C)C)cn1
InChIInChI=1S/C13H24N4O/c1-10(2)14-7-12-8-15-13(16-9-12)17(4)6-5-11(3)18/h8-11,14,18H,5-7H2,1-4H3
InChIKeyPRHKPTPSUMZAJE-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.18
Rot. Bonds7

About 4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol

4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol (PubChem CID 113499719) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol.

Molecular Properties

Compound Name4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol
PubChem CID113499719
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol
SMILESCC(O)CCN(C)c1ncc(CNC(C)C)cn1
InChIInChI=1S/C13H24N4O/c1-10(2)14-7-12-8-15-13(16-9-12)17(4)6-5-11(3)18/h8-11,14,18H,5-7H2,1-4H3
InChIKeyPRHKPTPSUMZAJE-UHFFFAOYSA-N
XLogP1.18
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol with MolForge

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Related Compounds

3-[(2-Amino-5-methylpyrimidin-4-yl)-methylamino]-2,2-dimethylpropan-1-ol
CID 122516796
3-[(2-Amino-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366465
5-Methyl-2-(piperidin-4-yloxy)pyrimidine
CID 63206054
1-{2-[(5-Ethyl-2-methylpyrimidin-4-YL)amino]ethyl}piperidin-4-OL
CID 50978918
1-[((3R*,4R*)-4-(hydroxymethyl)-1-{[2-(isopropylamino)pyrimidin-5-yl]methyl}pyrrolidin-3-yl)methyl]piperidin-4-ol
CID 72848374
(1-{3-[(5-Methylpyrimidin-2-YL)amino]propyl}piperidin-2-YL)methanol
CID 72882614
3-[4-(2-Amino-5-methylpyrimidin-4-YL)piperazin-1-YL]propan-1-OL
CID 72889129
1-[3-(Pyrimidin-2-ylamino)propyl]piperidin-4-OL
CID 72897179
1-{3-[(5-Ethylpyrimidin-2-YL)amino]propyl}piperidin-4-OL
CID 72927093
2-Amino-3-(5-methylpyrimidin-2-yl)propan-1-ol
CID 138991302
2-Methyl4-amino-5-oxymethylpyrimidin
CID 21615175
1-[4-(Dimethylamino)-5-methyl-2-pyrimidinyl]-4-piperidinol
CID 39830890

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol?
The IUPAC name of 4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol (CID 113499719) is 4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol.
What is the SMILES notation for 4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol?
The canonical SMILES for 4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol is CC(O)CCN(C)c1ncc(CNC(C)C)cn1.
What is the InChIKey of 4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol?
The InChIKey is PRHKPTPSUMZAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)14-7-12-8-15-13(16-9-12)17(4)6-5-11(3)18/h8-11,14,18H,5-7H2,1-4H3.
What are the key properties of 4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol?
4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol is sourced from PubChem (CID 113499719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).