4-chloro-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-2-amine

C13H20ClN5O — CID 133335948

IUPAC4-chloro-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-2-amine
SMILESNc1nc(Cl)cc(N2CCN(CC3CCOC3)CC2)n1
InChIInChI=1S/C13H20ClN5O/c14-11-7-12(17-13(15)16-11)19-4-2-18(3-5-19)8-10-1-6-20-9-10/h7,10H,1-6,8-9H2,(H2,15,16,17)
InChIKeyPQLIPQOUNIQFJQ-UHFFFAOYSA-N
MW297.79 g/mol
LogP0.87
Rot. Bonds3

About 4-chloro-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-2-amine

4-chloro-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 133335948) has the molecular formula C13H20ClN5O and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-chloro-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID133335948
Molecular FormulaC13H20ClN5O
Molecular Weight297.79 g/mol
Exact Mass297.14
IUPAC Name4-chloro-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-2-amine
SMILESNc1nc(Cl)cc(N2CCN(CC3CCOC3)CC2)n1
InChIInChI=1S/C13H20ClN5O/c14-11-7-12(17-13(15)16-11)19-4-2-18(3-5-19)8-10-1-6-20-9-10/h7,10H,1-6,8-9H2,(H2,15,16,17)
InChIKeyPQLIPQOUNIQFJQ-UHFFFAOYSA-N
XLogP0.87
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]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

4-Chloro-6-(morpholin-4-yl)pyrimidin-2-amine
CID 1484288
6-Chloro-2-(oxan-4-yl)pyrimidin-4-amine
CID 138039841
6-Chloro-2-(morpholin-4-yl)pyrimidin-4-amine
CID 20561338
4-N-butyl-6-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine
CID 124731002
6-chloro-N~4~-[2-(morpholin-4-yl)ethyl]pyrimidine-2,4-diamine
CID 45869411
4-Chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyrimidine
CID 106767908
6-chloro-N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 113875282
6-chloro-4-N-(2-methyl-2-morpholin-4-ylbutyl)pyrimidine-2,4-diamine
CID 45817882
4-Chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine
CID 71846233
4-chloro-N-(2,2-dimethylpropyl)-6-morpholin-4-ylpyrimidin-2-amine
CID 20785882
4-[6-Chloro-2-(3-methoxypropyl)pyrimidin-4-yl]morpholine
CID 22046925
4-Chloro-2-(1-piperazinyl)-6-pyrrolidinopyrimidine
CID 22414342

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-2-amine (CID 133335948) is 4-chloro-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-2-amine is Nc1nc(Cl)cc(N2CCN(CC3CCOC3)CC2)n1.
What is the InChIKey of 4-chloro-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is PQLIPQOUNIQFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5O/c14-11-7-12(17-13(15)16-11)19-4-2-18(3-5-19)8-10-1-6-20-9-10/h7,10H,1-6,8-9H2,(H2,15,16,17).
What are the key properties of 4-chloro-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-2-amine?
4-chloro-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 297.79 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 133335948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).