2-amino-1-[4-(2-methylpropyl)pyrimidin-2-yl]ethanol

C10H17N3O — CID 116902221

IUPAC2-amino-1-[4-(2-methylpropyl)pyrimidin-2-yl]ethanol
SMILESCC(C)Cc1ccnc(C(O)CN)n1
InChIInChI=1S/C10H17N3O/c1-7(2)5-8-3-4-12-10(13-8)9(14)6-11/h3-4,7,9,14H,5-6,11H2,1-2H3
InChIKeyGTZQAMBUQVVMOL-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.67
Rot. Bonds4

About 2-amino-1-[4-(2-methylpropyl)pyrimidin-2-yl]ethanol

2-amino-1-[4-(2-methylpropyl)pyrimidin-2-yl]ethanol (PubChem CID 116902221) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-amino-1-[4-(2-methylpropyl)pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[4-(2-methylpropyl)pyrimidin-2-yl]ethanol
PubChem CID116902221
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-amino-1-[4-(2-methylpropyl)pyrimidin-2-yl]ethanol
SMILESCC(C)Cc1ccnc(C(O)CN)n1
InChIInChI=1S/C10H17N3O/c1-7(2)5-8-3-4-12-10(13-8)9(14)6-11/h3-4,7,9,14H,5-6,11H2,1-2H3
InChIKeyGTZQAMBUQVVMOL-UHFFFAOYSA-N
XLogP0.67
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[4-(2-methylpropyl)pyrimidin-2-yl]propan-1-amine
CID 116898246
3-[4-(2-methylpropyl)pyrimidin-2-yl]butanoic acid
CID 116899960
methyl 3-methyl-2-[4-(2-methylpropyl)pyrimidin-2-yl]butanoate
CID 116903287
2-amino-1-[4-(1-aminopropyl)pyrimidin-2-yl]ethanol
CID 82399491
N-methyl-4-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine
CID 155088110
3-[4-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116899145
1-(2-butan-2-ylpyrimidin-4-yl)butan-2-amine
CID 63717252
4-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine
CID 155088111
2-amino-1-(4-naphthalen-1-ylpyrimidin-2-yl)ethanol
CID 116902289
2-(azetidin-3-yl)-4-(2-methylpropyl)pyrimidine
CID 84663586
2-chloro-4-(2-methylpropyl)pyrimidine;2,4-dichloropyrimidine
CID 158691450
2-amino-1-[4-(3,4-difluorophenyl)pyrimidin-2-yl]ethanol
CID 116902253

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2-methylpropyl)pyrimidin-2-yl]ethanol?
The IUPAC name of 2-amino-1-[4-(2-methylpropyl)pyrimidin-2-yl]ethanol (CID 116902221) is 2-amino-1-[4-(2-methylpropyl)pyrimidin-2-yl]ethanol.
What is the SMILES notation for 2-amino-1-[4-(2-methylpropyl)pyrimidin-2-yl]ethanol?
The canonical SMILES for 2-amino-1-[4-(2-methylpropyl)pyrimidin-2-yl]ethanol is CC(C)Cc1ccnc(C(O)CN)n1.
What is the InChIKey of 2-amino-1-[4-(2-methylpropyl)pyrimidin-2-yl]ethanol?
The InChIKey is GTZQAMBUQVVMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)5-8-3-4-12-10(13-8)9(14)6-11/h3-4,7,9,14H,5-6,11H2,1-2H3.
What are the key properties of 2-amino-1-[4-(2-methylpropyl)pyrimidin-2-yl]ethanol?
2-amino-1-[4-(2-methylpropyl)pyrimidin-2-yl]ethanol has a molecular weight of 195.27 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2-methylpropyl)pyrimidin-2-yl]ethanol is sourced from PubChem (CID 116902221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).