N'-pyrimidin-2-ylpropane-1,3-diamine

C7H12N4 — CID 14397405

IUPACN'-pyrimidin-2-ylpropane-1,3-diamine
SMILESNCCCNc1ncccn1
InChIInChI=1S/C7H12N4/c8-3-1-4-9-7-10-5-2-6-11-7/h2,5-6H,1,3-4,8H2,(H,9,10,11)
InChIKeyFHYDQGOVTLQZSZ-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.24
Rot. Bonds4

About N'-pyrimidin-2-ylpropane-1,3-diamine

N'-pyrimidin-2-ylpropane-1,3-diamine (PubChem CID 14397405) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is N'-pyrimidin-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-pyrimidin-2-ylpropane-1,3-diamine
PubChem CID14397405
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC NameN'-pyrimidin-2-ylpropane-1,3-diamine
SMILESNCCCNc1ncccn1
InChIInChI=1S/C7H12N4/c8-3-1-4-9-7-10-5-2-6-11-7/h2,5-6H,1,3-4,8H2,(H,9,10,11)
InChIKeyFHYDQGOVTLQZSZ-UHFFFAOYSA-N
XLogP0.24
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Aminopyrimidine
CID 7978
1-(2-Pyrimidinyl)piperazine
CID 88747
Pyrimidine
CID 9260
N-(1-Methylethyl)-2-pyrimidinamine
CID 71169
2-Bromopyrimidine
CID 78345
2,4-Diaminopyrimidine
CID 67431
2-Cyanopyrimidine
CID 2757979
N-methylpyrimidin-2-amine
CID 265776
2-Methylpyrimidin-4-amine
CID 295763
1-(2-Pyrimidyl)piperazine hydrochloride
CID 2818457
2-Chloro-N,N-dimethylpyrimidin-4-amine
CID 95975
Phosphazine
CID 96661

Frequently Asked Questions

What is the IUPAC name of N'-pyrimidin-2-ylpropane-1,3-diamine?
The IUPAC name of N'-pyrimidin-2-ylpropane-1,3-diamine (CID 14397405) is N'-pyrimidin-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-pyrimidin-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-pyrimidin-2-ylpropane-1,3-diamine is NCCCNc1ncccn1.
What is the InChIKey of N'-pyrimidin-2-ylpropane-1,3-diamine?
The InChIKey is FHYDQGOVTLQZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c8-3-1-4-9-7-10-5-2-6-11-7/h2,5-6H,1,3-4,8H2,(H,9,10,11).
What are the key properties of N'-pyrimidin-2-ylpropane-1,3-diamine?
N'-pyrimidin-2-ylpropane-1,3-diamine has a molecular weight of 152.20 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pyrimidin-2-ylpropane-1,3-diamine is sourced from PubChem (CID 14397405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).