5-chloro-4-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidine-4,6-diamine

C13H20ClN5O — CID 154741850

IUPAC5-chloro-4-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidine-4,6-diamine
SMILESNc1ncnc(NC2CCN(C3CCOC3)CC2)c1Cl
InChIInChI=1S/C13H20ClN5O/c14-11-12(15)16-8-17-13(11)18-9-1-4-19(5-2-9)10-3-6-20-7-10/h8-10H,1-7H2,(H3,15,16,17,18)
InChIKeyNQDGPAREBXTCLQ-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.38
Rot. Bonds3

About 5-chloro-4-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidine-4,6-diamine

5-chloro-4-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidine-4,6-diamine (PubChem CID 154741850) has the molecular formula C13H20ClN5O and a molecular weight of 297.79 g/mol. Its IUPAC name is 5-chloro-4-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidine-4,6-diamine
PubChem CID154741850
Molecular FormulaC13H20ClN5O
Molecular Weight297.79 g/mol
Exact Mass297.14
IUPAC Name5-chloro-4-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidine-4,6-diamine
SMILESNc1ncnc(NC2CCN(C3CCOC3)CC2)c1Cl
InChIInChI=1S/C13H20ClN5O/c14-11-12(15)16-8-17-13(11)18-9-1-4-19(5-2-9)10-3-6-20-7-10/h8-10H,1-7H2,(H3,15,16,17,18)
InChIKeyNQDGPAREBXTCLQ-UHFFFAOYSA-N
XLogP1.38
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-4-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidine-4,6-diamine 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

5-chloro-4-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]pyrimidine-4,6-diamine
CID 100648089
5-chloro-4-N-(3-methoxycyclopentyl)pyrimidine-4,6-diamine
CID 106812476
5-chloro-2-N,4-N-bis[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 136582978
5-fluoro-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidin-2-amine
CID 75482685
5-fluoro-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]pyrimidin-2-amine
CID 97069457
5-fluoro-N-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]pyrimidin-2-amine
CID 97069458
5-chloro-4-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]pyrimidine-4,6-diamine
CID 100648077
5-chloro-4-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]pyrimidine-4,6-diamine
CID 121518238
6-Chloro-N~4~-[2-(morpholin-4-yl)ethyl]pyrimidine-4,5-diamine
CID 343170
6-chloro-5-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 80713993
5-Chloro-6-(4-morpholinyl)-4-pyrimidinamine
CID 104070834
5-chloro-4-N-piperidin-4-ylpyrimidine-4,6-diamine
CID 123192809

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidine-4,6-diamine (CID 154741850) is 5-chloro-4-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidine-4,6-diamine is Nc1ncnc(NC2CCN(C3CCOC3)CC2)c1Cl.
What is the InChIKey of 5-chloro-4-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidine-4,6-diamine?
The InChIKey is NQDGPAREBXTCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5O/c14-11-12(15)16-8-17-13(11)18-9-1-4-19(5-2-9)10-3-6-20-7-10/h8-10H,1-7H2,(H3,15,16,17,18).
What are the key properties of 5-chloro-4-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidine-4,6-diamine?
5-chloro-4-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidine-4,6-diamine has a molecular weight of 297.79 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 154741850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).