2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine

C8H14N4 — CID 114553095

IUPAC2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine
SMILESCC(CN)NCc1ncccn1
InChIInChI=1S/C8H14N4/c1-7(5-9)12-6-8-10-3-2-4-11-8/h2-4,7,12H,5-6,9H2,1H3
InChIKeyDASMDNWKXMDIPW-UHFFFAOYSA-N
MW166.23 g/mol
LogP-0.09
Rot. Bonds4

About 2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine

2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine (PubChem CID 114553095) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine
PubChem CID114553095
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine
SMILESCC(CN)NCc1ncccn1
InChIInChI=1S/C8H14N4/c1-7(5-9)12-6-8-10-3-2-4-11-8/h2-4,7,12H,5-6,9H2,1H3
InChIKeyDASMDNWKXMDIPW-UHFFFAOYSA-N
XLogP-0.09
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Aminopyrimidine
CID 7978
1-(2-Pyrimidinyl)piperazine
CID 88747
2,4-Diaminopyrimidine
CID 67431
N-(1-Methylethyl)-2-pyrimidinamine
CID 71169
N-methylpyrimidin-2-amine
CID 265776
2-Methylpyrimidin-4-amine
CID 295763
1-(2-Pyrimidyl)piperazine hydrochloride
CID 2818457
4-Aminopyrimidine
CID 68958
N-cycloheptylpyrimidin-2-amine
CID 868191
4-(Cyclohexylamino)pyrimidine-2-carbonitrile
CID 16108884
Isaxonine phosphate
CID 163093
N-cyclohexylpyrimidin-2-amine
CID 21252719

Frequently Asked Questions

What is the IUPAC name of 2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine (CID 114553095) is 2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine is CC(CN)NCc1ncccn1.
What is the InChIKey of 2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine?
The InChIKey is DASMDNWKXMDIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-7(5-9)12-6-8-10-3-2-4-11-8/h2-4,7,12H,5-6,9H2,1H3.
What are the key properties of 2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine?
2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine has a molecular weight of 166.23 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 114553095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).