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

C11H19N3O — CID 103703910

IUPAC4-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol
SMILESCc1ccnc(NC(CCO)C(C)C)n1
InChIInChI=1S/C11H19N3O/c1-8(2)10(5-7-15)14-11-12-6-4-9(3)13-11/h4,6,8,10,15H,5,7H2,1-3H3,(H,12,13,14)
InChIKeyTXBXLQCKXILKTE-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.60
Rot. Bonds5

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

4-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol (PubChem CID 103703910) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol
PubChem CID103703910
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol
SMILESCc1ccnc(NC(CCO)C(C)C)n1
InChIInChI=1S/C11H19N3O/c1-8(2)10(5-7-15)14-11-12-6-4-9(3)13-11/h4,6,8,10,15H,5,7H2,1-3H3,(H,12,13,14)
InChIKeyTXBXLQCKXILKTE-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
4-methyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol
CID 103858162
4-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine
CID 115637582
3-[[(4-methylpyrimidin-2-yl)amino]methyl]hexan-1-ol
CID 103705117
2-[(4-methylpyrimidin-2-yl)amino]propanamide
CID 62959080
N-(1-methoxypropan-2-yl)-4-methylpyrimidin-2-amine
CID 62958383
3-[(2-chloro-4-pyridinyl)amino]-4-methylpentan-1-ol
CID 103757100
3-[(2-amino-4-pyridinyl)amino]-4-methylpentan-1-ol
CID 106358019
2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 79246753
1-[(4-methylpyrimidin-2-yl)amino]propan-2-ol
CID 62958560
N-but-3-en-2-yl-4-methylpyrimidin-2-amine
CID 115691968
4-methyl-N-[1-(4-methylphenyl)ethyl]pyrimidin-2-amine
CID 62958041

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol?
The IUPAC name of 4-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol (CID 103703910) is 4-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol.
What is the SMILES notation for 4-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol?
The canonical SMILES for 4-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol is Cc1ccnc(NC(CCO)C(C)C)n1.
What is the InChIKey of 4-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol?
The InChIKey is TXBXLQCKXILKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)10(5-7-15)14-11-12-6-4-9(3)13-11/h4,6,8,10,15H,5,7H2,1-3H3,(H,12,13,14).
What are the key properties of 4-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol?
4-methyl-3-[(4-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-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol is sourced from PubChem (CID 103703910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).