N-propyl-1-pyrimidin-4-ylethane-1,2-diamine

C9H16N4 — CID 63986807

IUPACN-propyl-1-pyrimidin-4-ylethane-1,2-diamine
SMILESCCCNC(CN)c1ccncn1
InChIInChI=1S/C9H16N4/c1-2-4-12-9(6-10)8-3-5-11-7-13-8/h3,5,7,9,12H,2,4,6,10H2,1H3
InChIKeyRKMHRSVNBSQEID-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.48
Rot. Bonds5

About N-propyl-1-pyrimidin-4-ylethane-1,2-diamine

N-propyl-1-pyrimidin-4-ylethane-1,2-diamine (PubChem CID 63986807) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N-propyl-1-pyrimidin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-propyl-1-pyrimidin-4-ylethane-1,2-diamine
PubChem CID63986807
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN-propyl-1-pyrimidin-4-ylethane-1,2-diamine
SMILESCCCNC(CN)c1ccncn1
InChIInChI=1S/C9H16N4/c1-2-4-12-9(6-10)8-3-5-11-7-13-8/h3,5,7,9,12H,2,4,6,10H2,1H3
InChIKeyRKMHRSVNBSQEID-UHFFFAOYSA-N
XLogP0.48
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-propyl-1-pyrimidin-4-ylethane-1,2-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

N-(2-methoxyethyl)-1-pyrimidin-4-ylethane-1,2-diamine
CID 63986819
4,4-dimethyl-N-propyl-1-pyrimidin-4-ylpentan-1-amine
CID 63988767
N-[2-(3,5-dimethylphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63990004
N-[2-(4-chlorophenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63988984
N-[2-(5-ethyl-2-pyridinyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 79748221
5,5,5-trifluoro-N-propyl-1-pyrimidin-4-ylpentan-1-amine
CID 113327036
N-[2-(5-bromothiophen-2-yl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63989185
N-(4-fluorophenyl)-1-pyrimidin-4-ylethane-1,2-diamine
CID 65377912
N-[2-(4-chloro-2-fluorophenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 114855708
N-(4-bromo-3,5-dimethylphenyl)-1-pyrimidin-4-ylethane-1,2-diamine
CID 107573279
N-but-3-yn-2-yl-1-pyrimidin-4-ylethane-1,2-diamine
CID 114416155
N-[2-(2-methoxy-5-methylphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63989184

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-pyrimidin-4-ylethane-1,2-diamine?
The IUPAC name of N-propyl-1-pyrimidin-4-ylethane-1,2-diamine (CID 63986807) is N-propyl-1-pyrimidin-4-ylethane-1,2-diamine.
What is the SMILES notation for N-propyl-1-pyrimidin-4-ylethane-1,2-diamine?
The canonical SMILES for N-propyl-1-pyrimidin-4-ylethane-1,2-diamine is CCCNC(CN)c1ccncn1.
What is the InChIKey of N-propyl-1-pyrimidin-4-ylethane-1,2-diamine?
The InChIKey is RKMHRSVNBSQEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-2-4-12-9(6-10)8-3-5-11-7-13-8/h3,5,7,9,12H,2,4,6,10H2,1H3.
What are the key properties of N-propyl-1-pyrimidin-4-ylethane-1,2-diamine?
N-propyl-1-pyrimidin-4-ylethane-1,2-diamine has a molecular weight of 180.25 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-pyrimidin-4-ylethane-1,2-diamine is sourced from PubChem (CID 63986807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).