2-chloro-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine

C10H14ClN3O — CID 115695408

IUPAC2-chloro-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine
SMILESCC(Nc1ccnc(Cl)n1)C1CCOC1
InChIInChI=1S/C10H14ClN3O/c1-7(8-3-5-15-6-8)13-9-2-4-12-10(11)14-9/h2,4,7-8H,3,5-6H2,1H3,(H,12,13,14)
InChIKeyKNQRJVASCXJDFF-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.97
Rot. Bonds3

About 2-chloro-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine

2-chloro-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 115695408) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine
PubChem CID115695408
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name2-chloro-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine
SMILESCC(Nc1ccnc(Cl)n1)C1CCOC1
InChIInChI=1S/C10H14ClN3O/c1-7(8-3-5-15-6-8)13-9-2-4-12-10(11)14-9/h2,4,7-8H,3,5-6H2,1H3,(H,12,13,14)
InChIKeyKNQRJVASCXJDFF-UHFFFAOYSA-N
XLogP1.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrimidin-4-amine
CID 99718666
6-chloro-2-methyl-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine
CID 115658056
5-chloro-6-methyl-N-[1-(oxan-4-yl)ethyl]pyridin-2-amine
CID 123747453
6-chloro-N-[1-(oxolan-3-yl)ethyl]quinolin-8-amine
CID 115928689
2-chloro-N-(3-methylbutan-2-yl)pyrimidin-4-amine
CID 62338504
2-chloro-N-[(2R)-3-methylbutan-2-yl]pyrimidin-4-amine
CID 94405665
N-[1-(oxolan-3-yl)ethyl]quinolin-8-amine
CID 115916542
6-(2-amino-4-pyridinyl)-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine
CID 67043538
3-nitro-6-[1-(oxolan-3-yl)ethylamino]pyridine-2-carbonitrile
CID 103472104
2-chloro-N-[1-(oxan-4-yl)ethyl]pyridin-4-amine
CID 103768427
5-nitro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine
CID 113243988
3-[(2-chloropyrimidin-4-yl)amino]-4-[[(1R)-1-cyclohexylethyl]amino]cyclobut-3-ene-1,2-dione
CID 87312576

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine (CID 115695408) is 2-chloro-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine is CC(Nc1ccnc(Cl)n1)C1CCOC1.
What is the InChIKey of 2-chloro-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is KNQRJVASCXJDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7(8-3-5-15-6-8)13-9-2-4-12-10(11)14-9/h2,4,7-8H,3,5-6H2,1H3,(H,12,13,14).
What are the key properties of 2-chloro-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine?
2-chloro-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 227.69 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 115695408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).