2,5-dichloro-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine

C9H11Cl2N3O — CID 82748113

IUPAC2,5-dichloro-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
SMILESCN(c1nc(Cl)ncc1Cl)C1CCOC1
InChIInChI=1S/C9H11Cl2N3O/c1-14(6-2-3-15-5-6)8-7(10)4-12-9(11)13-8/h4,6H,2-3,5H2,1H3
InChIKeyPPSFDUZDUIBBMT-UHFFFAOYSA-N
MW248.11 g/mol
LogP2.01
Rot. Bonds2

About 2,5-dichloro-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine

2,5-dichloro-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine (PubChem CID 82748113) has the molecular formula C9H11Cl2N3O and a molecular weight of 248.11 g/mol. Its IUPAC name is 2,5-dichloro-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
PubChem CID82748113
Molecular FormulaC9H11Cl2N3O
Molecular Weight248.11 g/mol
Exact Mass247.03
IUPAC Name2,5-dichloro-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
SMILESCN(c1nc(Cl)ncc1Cl)C1CCOC1
InChIInChI=1S/C9H11Cl2N3O/c1-14(6-2-3-15-5-6)8-7(10)4-12-9(11)13-8/h4,6H,2-3,5H2,1H3
InChIKeyPPSFDUZDUIBBMT-UHFFFAOYSA-N
XLogP2.01
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,5-dichloro-N-methyl-N-(oxolan-3-yl)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

2,5-dichloro-N-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine
CID 79632393
6-chloro-5-methoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 82749328
5-iodo-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 82748952
5-bromo-2-chloro-N-cyclopropyl-N-methylpyrimidin-4-amine
CID 79076587
5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)pyridin-2-amine
CID 114926939
N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)pyrimidin-4-amine
CID 114216480
5-bromo-3-chloro-N-methyl-N-(oxan-4-yl)pyridin-2-amine
CID 103580325
5-(chloromethyl)-N,4-dimethyl-N-(oxolan-3-yl)pyrimidin-2-amine
CID 83183810
2-chloro-N-methyl-N-(oxan-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103320724
5-chloro-4-N-cycloheptyl-4-N-methylpyrimidine-2,4-diamine
CID 80789751
4-N-methyl-4-N-(oxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 82744530
6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(oxolan-3-yl)pyridin-2-amine
CID 82754331

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine (CID 82748113) is 2,5-dichloro-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine is CN(c1nc(Cl)ncc1Cl)C1CCOC1.
What is the InChIKey of 2,5-dichloro-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine?
The InChIKey is PPSFDUZDUIBBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3O/c1-14(6-2-3-15-5-6)8-7(10)4-12-9(11)13-8/h4,6H,2-3,5H2,1H3.
What are the key properties of 2,5-dichloro-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine?
2,5-dichloro-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine has a molecular weight of 248.11 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 82748113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).