1-[(4-methylpyrimidin-2-yl)amino]propan-2-ol

C8H13N3O — CID 62958560

IUPAC1-[(4-methylpyrimidin-2-yl)amino]propan-2-ol
SMILESCc1ccnc(NCC(C)O)n1
InChIInChI=1S/C8H13N3O/c1-6-3-4-9-8(11-6)10-5-7(2)12/h3-4,7,12H,5H2,1-2H3,(H,9,10,11)
InChIKeyGBOWSDQNHICWFZ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.58
Rot. Bonds3

About 1-[(4-methylpyrimidin-2-yl)amino]propan-2-ol

1-[(4-methylpyrimidin-2-yl)amino]propan-2-ol (PubChem CID 62958560) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-[(4-methylpyrimidin-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(4-methylpyrimidin-2-yl)amino]propan-2-ol
PubChem CID62958560
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-[(4-methylpyrimidin-2-yl)amino]propan-2-ol
SMILESCc1ccnc(NCC(C)O)n1
InChIInChI=1S/C8H13N3O/c1-6-3-4-9-8(11-6)10-5-7(2)12/h3-4,7,12H,5H2,1-2H3,(H,9,10,11)
InChIKeyGBOWSDQNHICWFZ-UHFFFAOYSA-N
XLogP0.58
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4,6-dimethylpyrimidin-2-yl)amino]propan-2-ol
CID 43395852
1-[[2-(ethylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779056
3-[[(4-methylpyrimidin-2-yl)amino]methyl]hexan-1-ol
CID 103705117
3-[(4-methylpyrimidin-2-yl)amino]-2-phenylpropanoic acid
CID 62960699
2-[(4-methylpyrimidin-2-yl)amino]-1-(3-propan-2-yloxyphenyl)ethanol
CID 133304652
N-(3-fluorobutyl)-4-methylpyrimidin-2-amine
CID 130637741
1-(4-chloro-3-fluorophenyl)-2-[(4-methylpyrimidin-2-yl)amino]ethanol
CID 133411967
(2S)-1-[[4-[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol
CID 143753883
4-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine
CID 115637582
N-(3-fluoropropyl)-4-methylpyrimidin-2-amine
CID 130504329
N-[[4-(difluoromethyl)phenyl]methyl]-4-methylpyrimidin-2-amine
CID 133474574
1-(quinazolin-2-ylamino)propan-2-ol
CID 114788870

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylpyrimidin-2-yl)amino]propan-2-ol?
The IUPAC name of 1-[(4-methylpyrimidin-2-yl)amino]propan-2-ol (CID 62958560) is 1-[(4-methylpyrimidin-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(4-methylpyrimidin-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(4-methylpyrimidin-2-yl)amino]propan-2-ol is Cc1ccnc(NCC(C)O)n1.
What is the InChIKey of 1-[(4-methylpyrimidin-2-yl)amino]propan-2-ol?
The InChIKey is GBOWSDQNHICWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-3-4-9-8(11-6)10-5-7(2)12/h3-4,7,12H,5H2,1-2H3,(H,9,10,11).
What are the key properties of 1-[(4-methylpyrimidin-2-yl)amino]propan-2-ol?
1-[(4-methylpyrimidin-2-yl)amino]propan-2-ol has a molecular weight of 167.21 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylpyrimidin-2-yl)amino]propan-2-ol is sourced from PubChem (CID 62958560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).