(2S)-3-methyl-2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol

C16H30N4O — CID 80992681

IUPAC(2S)-3-methyl-2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
SMILESCCCNc1nc(C(C)C)nc(N[C@H](CO)C(C)C)c1C
InChIInChI=1S/C16H30N4O/c1-7-8-17-15-12(6)16(18-13(9-21)10(2)3)20-14(19-15)11(4)5/h10-11,13,21H,7-9H2,1-6H3,(H2,17,18,19,20)/t13-/m1/s1
InChIKeyGMXYICXRKMSKIX-CYBMUJFWSA-N
MW294.44 g/mol
LogP3.16
Rot. Bonds8

About (2S)-3-methyl-2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol

(2S)-3-methyl-2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol (PubChem CID 80992681) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is (2S)-3-methyl-2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-3-methyl-2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
PubChem CID80992681
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name(2S)-3-methyl-2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
SMILESCCCNc1nc(C(C)C)nc(N[C@H](CO)C(C)C)c1C
InChIInChI=1S/C16H30N4O/c1-7-8-17-15-12(6)16(18-13(9-21)10(2)3)20-14(19-15)11(4)5/h10-11,13,21H,7-9H2,1-6H3,(H2,17,18,19,20)/t13-/m1/s1
InChIKeyGMXYICXRKMSKIX-CYBMUJFWSA-N
XLogP3.16
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-3-methyl-2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol with MolForge

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Related Compounds

2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80981937
4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 104830615
2-methyl-3-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80991979
4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80980995
(2S)-2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80992204
4-N-hexan-2-yl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80984973
2-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80780005
2-methyl-1-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 80981087
4-N-(4-methoxybutan-2-yl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80984651
methyl 3-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80986482
3-methyl-2-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80848033
5-methyl-4-N-(3-methylsulfanylpropyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80984789

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
The IUPAC name of (2S)-3-methyl-2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol (CID 80992681) is (2S)-3-methyl-2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for (2S)-3-methyl-2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
The canonical SMILES for (2S)-3-methyl-2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol is CCCNc1nc(C(C)C)nc(N[C@H](CO)C(C)C)c1C.
What is the InChIKey of (2S)-3-methyl-2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
The InChIKey is GMXYICXRKMSKIX-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H30N4O/c1-7-8-17-15-12(6)16(18-13(9-21)10(2)3)20-14(19-15)11(4)5/h10-11,13,21H,7-9H2,1-6H3,(H2,17,18,19,20)/t13-/m1/s1.
What are the key properties of (2S)-3-methyl-2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
(2S)-3-methyl-2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol has a molecular weight of 294.44 g/mol, XLogP of 3.16, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 80992681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).