5-chloro-4-N-(3-ethylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine

C14H25ClN4 — CID 80841619

IUPAC5-chloro-4-N-(3-ethylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(NC(CC)(CC)CC)n1
InChIInChI=1S/C14H25ClN4/c1-5-9-16-13-17-10-11(15)12(18-13)19-14(6-2,7-3)8-4/h10H,5-9H2,1-4H3,(H2,16,17,18,19)
InChIKeyIPMMMPRFAUWDDU-UHFFFAOYSA-N
MW284.84 g/mol
LogP4.33
Rot. Bonds8

About 5-chloro-4-N-(3-ethylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine

5-chloro-4-N-(3-ethylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80841619) has the molecular formula C14H25ClN4 and a molecular weight of 284.84 g/mol. Its IUPAC name is 5-chloro-4-N-(3-ethylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(3-ethylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80841619
Molecular FormulaC14H25ClN4
Molecular Weight284.84 g/mol
Exact Mass284.18
IUPAC Name5-chloro-4-N-(3-ethylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(NC(CC)(CC)CC)n1
InChIInChI=1S/C14H25ClN4/c1-5-9-16-13-17-10-11(15)12(18-13)19-14(6-2,7-3)8-4/h10H,5-9H2,1-4H3,(H2,16,17,18,19)
InChIKeyIPMMMPRFAUWDDU-UHFFFAOYSA-N
XLogP4.33
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.84
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-N-(3-ethylpentan-3-yl)-2-N-propylpyrimidine-2,4-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-cycloheptyl-2-N-propylpyrimidine-2,4-diamine
CID 80772251
2-ethyl-2-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol
CID 107868640
2-[[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]methyl]-2-ethylbutan-1-ol
CID 106258279
5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565369
2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80827247
5-chloro-4-N-(2-methoxyethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80765635
5-chloro-4-N-[(2-chlorophenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80786539
methyl 2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80777905
1-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296292
5-chloro-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 80768239
5-chloro-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80814220
5-chloro-4-N-(2,2-dimethylheptyl)-2-N-propylpyrimidine-2,4-diamine
CID 80839036

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(3-ethylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(3-ethylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine (CID 80841619) is 5-chloro-4-N-(3-ethylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(3-ethylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(3-ethylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(Cl)c(NC(CC)(CC)CC)n1.
What is the InChIKey of 5-chloro-4-N-(3-ethylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is IPMMMPRFAUWDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN4/c1-5-9-16-13-17-10-11(15)12(18-13)19-14(6-2,7-3)8-4/h10H,5-9H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 5-chloro-4-N-(3-ethylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine?
5-chloro-4-N-(3-ethylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 284.84 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(3-ethylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80841619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).