2-(oxolan-2-ylmethyl)pyrimidin-5-amine

C9H13N3O — CID 43142229

IUPAC2-(oxolan-2-ylmethyl)pyrimidin-5-amine
SMILESNc1cnc(CC2CCCO2)nc1
InChIInChI=1S/C9H13N3O/c10-7-5-11-9(12-6-7)4-8-2-1-3-13-8/h5-6,8H,1-4,10H2
InChIKeyASMHXSMWXHVFBH-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.78
Rot. Bonds2

About 2-(oxolan-2-ylmethyl)pyrimidin-5-amine

2-(oxolan-2-ylmethyl)pyrimidin-5-amine (PubChem CID 43142229) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(oxolan-2-ylmethyl)pyrimidin-5-amine
PubChem CID43142229
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-(oxolan-2-ylmethyl)pyrimidin-5-amine
SMILESNc1cnc(CC2CCCO2)nc1
InChIInChI=1S/C9H13N3O/c10-7-5-11-9(12-6-7)4-8-2-1-3-13-8/h5-6,8H,1-4,10H2
InChIKeyASMHXSMWXHVFBH-UHFFFAOYSA-N
XLogP0.78
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propan-2-amine
CID 62756821
6-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681350
3-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-6-amine
CID 117103432
N-[[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62756957
2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008084
2-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine
CID 114207086
2-[[(2S)-oxolan-2-yl]methyl]-7H-purine
CID 175976285
5-methyl-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid
CID 165447270
6-(oxolan-2-ylmethylsulfanyl)pyridin-3-amine
CID 43301504
5-bromo-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid
CID 106512153
2-(oxan-2-ylmethyl)quinazoline
CID 123458550
2-(oxolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117134413

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethyl)pyrimidin-5-amine?
The IUPAC name of 2-(oxolan-2-ylmethyl)pyrimidin-5-amine (CID 43142229) is 2-(oxolan-2-ylmethyl)pyrimidin-5-amine.
What is the SMILES notation for 2-(oxolan-2-ylmethyl)pyrimidin-5-amine?
The canonical SMILES for 2-(oxolan-2-ylmethyl)pyrimidin-5-amine is Nc1cnc(CC2CCCO2)nc1.
What is the InChIKey of 2-(oxolan-2-ylmethyl)pyrimidin-5-amine?
The InChIKey is ASMHXSMWXHVFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-7-5-11-9(12-6-7)4-8-2-1-3-13-8/h5-6,8H,1-4,10H2.
What are the key properties of 2-(oxolan-2-ylmethyl)pyrimidin-5-amine?
2-(oxolan-2-ylmethyl)pyrimidin-5-amine has a molecular weight of 179.22 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethyl)pyrimidin-5-amine is sourced from PubChem (CID 43142229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).