1-[(6-methylpyrimidin-4-yl)amino]propan-2-ol

C8H13N3O — CID 61226295

IUPAC1-[(6-methylpyrimidin-4-yl)amino]propan-2-ol
SMILESCc1cc(NCC(C)O)ncn1
InChIInChI=1S/C8H13N3O/c1-6-3-8(11-5-10-6)9-4-7(2)12/h3,5,7,12H,4H2,1-2H3,(H,9,10,11)
InChIKeyFBLHHEGQUSTUHC-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.58
Rot. Bonds3

About 1-[(6-methylpyrimidin-4-yl)amino]propan-2-ol

1-[(6-methylpyrimidin-4-yl)amino]propan-2-ol (PubChem CID 61226295) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-[(6-methylpyrimidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(6-methylpyrimidin-4-yl)amino]propan-2-ol
PubChem CID61226295
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-[(6-methylpyrimidin-4-yl)amino]propan-2-ol
SMILESCc1cc(NCC(C)O)ncn1
InChIInChI=1S/C8H13N3O/c1-6-3-8(11-5-10-6)9-4-7(2)12/h3,5,7,12H,4H2,1-2H3,(H,9,10,11)
InChIKeyFBLHHEGQUSTUHC-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

N-(3-chloro-2-methylpropyl)-6-methylpyrimidin-4-amine
CID 65037496
1-[[6-(fluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 126849133
6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine
CID 102609023
propan-2-yl 2-methyl-3-[(6-methylpyrimidin-4-yl)amino]propanoate
CID 133325454
1-(4-aminophenyl)-2-[(6-methylpyrimidin-4-yl)amino]ethanol
CID 61224926
(2S)-2-[[6-(2-hydroxypropylamino)pyrimidin-4-yl]amino]propanoic acid
CID 122049425
N',N'-dimethyl-N-(6-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 61225693
6-methyl-N-propan-2-ylpyrimidin-4-amine
CID 61225495
N-(2-bromoethyl)-6-methylpyrimidin-4-amine
CID 126848039
6-methyl-N-(2-methylidenebutyl)pyrimidin-4-amine
CID 131071652
6-methyl-N-(2-methyl-3-phenylmethoxypropyl)pyrimidin-4-amine
CID 133298482
(2S)-4-methyl-2-[(6-methylpyrimidin-4-yl)amino]pentanoic acid
CID 122050185

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methylpyrimidin-4-yl)amino]propan-2-ol?
The IUPAC name of 1-[(6-methylpyrimidin-4-yl)amino]propan-2-ol (CID 61226295) is 1-[(6-methylpyrimidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(6-methylpyrimidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(6-methylpyrimidin-4-yl)amino]propan-2-ol is Cc1cc(NCC(C)O)ncn1.
What is the InChIKey of 1-[(6-methylpyrimidin-4-yl)amino]propan-2-ol?
The InChIKey is FBLHHEGQUSTUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-3-8(11-5-10-6)9-4-7(2)12/h3,5,7,12H,4H2,1-2H3,(H,9,10,11).
What are the key properties of 1-[(6-methylpyrimidin-4-yl)amino]propan-2-ol?
1-[(6-methylpyrimidin-4-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-[(6-methylpyrimidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 61226295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).