4-methyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol

C11H19N3O — CID 103858162

IUPAC4-methyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol
SMILESCc1cnc(NC(CCO)C(C)C)nc1
InChIInChI=1S/C11H19N3O/c1-8(2)10(4-5-15)14-11-12-6-9(3)7-13-11/h6-8,10,15H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyAJFLPPZRIKASHZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.60
Rot. Bonds5

About 4-methyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol

4-methyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol (PubChem CID 103858162) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-methyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol
PubChem CID103858162
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-methyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol
SMILESCc1cnc(NC(CCO)C(C)C)nc1
InChIInChI=1S/C11H19N3O/c1-8(2)10(4-5-15)14-11-12-6-9(3)7-13-11/h6-8,10,15H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyAJFLPPZRIKASHZ-UHFFFAOYSA-N
XLogP1.60
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-(pyrimidin-2-ylamino)pentan-1-ol
CID 103696577
5-methyl-N-(2-methylpentan-3-yl)pyrimidin-2-amine
CID 63208029
4,4-dimethyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol
CID 103858207
4-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol
CID 103703910
N-butan-2-yl-5-methylpyrimidin-2-amine
CID 63208225
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-4-methylpentan-1-ol
CID 106350476
3-[(6-amino-3-pyridinyl)amino]-4-methylpentan-1-ol
CID 106348304
(3R)-3-[(5-chloropyrimidin-2-yl)amino]butan-1-ol
CID 130617035
1-N-benzyl-1-N,3-dimethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine
CID 133479946
4-methyl-3-(quinoxalin-2-ylamino)pentan-1-ol
CID 113242419
4-methyl-3-[[2-(methylamino)-5-nitropyrimidin-4-yl]amino]pentan-1-ol
CID 106358076
3-[(2,6-dimethylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 103703947

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol?
The IUPAC name of 4-methyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol (CID 103858162) is 4-methyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol.
What is the SMILES notation for 4-methyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol?
The canonical SMILES for 4-methyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol is Cc1cnc(NC(CCO)C(C)C)nc1.
What is the InChIKey of 4-methyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol?
The InChIKey is AJFLPPZRIKASHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)10(4-5-15)14-11-12-6-9(3)7-13-11/h6-8,10,15H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of 4-methyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol?
4-methyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol is sourced from PubChem (CID 103858162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).