4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine

C9H11Cl2N3O — CID 124585342

IUPAC4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
SMILESClc1cc(Cl)nc(NC[C@@H]2CCCO2)n1
InChIInChI=1S/C9H11Cl2N3O/c10-7-4-8(11)14-9(13-7)12-5-6-2-1-3-15-6/h4,6H,1-3,5H2,(H,12,13,14)/t6-/m0/s1
InChIKeyKZVCTVDNYOKJOO-LURJTMIESA-N
MW248.11 g/mol
LogP2.37
Rot. Bonds3

About 4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine

4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine (PubChem CID 124585342) has the molecular formula C9H11Cl2N3O and a molecular weight of 248.11 g/mol. Its IUPAC name is 4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
PubChem CID124585342
Molecular FormulaC9H11Cl2N3O
Molecular Weight248.11 g/mol
Exact Mass247.03
IUPAC Name4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
SMILESClc1cc(Cl)nc(NC[C@@H]2CCCO2)n1
InChIInChI=1S/C9H11Cl2N3O/c10-7-4-8(11)14-9(13-7)12-5-6-2-1-3-15-6/h4,6H,1-3,5H2,(H,12,13,14)/t6-/m0/s1
InChIKeyKZVCTVDNYOKJOO-LURJTMIESA-N
XLogP2.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-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

2,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine;4,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 159289441
2-tert-butyl-6-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 96653247
6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 62480935
4-chloro-N-(oxolan-2-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 87184940
6-chloro-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80939617
N-(2,6-dichlorophenyl)-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109324672
4-chloro-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 117101118
4-N-(4-chloro-2-methylphenyl)-6-methyl-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912686
4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857188
6-chloro-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938789
3,5,6-trichloro-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 102750819
2-N-[(4-chlorophenyl)methyl]-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912417

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine (CID 124585342) is 4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine is Clc1cc(Cl)nc(NC[C@@H]2CCCO2)n1.
What is the InChIKey of 4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is KZVCTVDNYOKJOO-LURJTMIESA-N. The full InChI is InChI=1S/C9H11Cl2N3O/c10-7-4-8(11)14-9(13-7)12-5-6-2-1-3-15-6/h4,6H,1-3,5H2,(H,12,13,14)/t6-/m0/s1.
What are the key properties of 4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine?
4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 248.11 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 124585342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).