2-N-(1-pyridin-3-ylethyl)pyrimidine-2,5-diamine

C11H13N5 — CID 61146602

IUPAC2-N-(1-pyridin-3-ylethyl)pyrimidine-2,5-diamine
SMILESCC(Nc1ncc(N)cn1)c1cccnc1
InChIInChI=1S/C11H13N5/c1-8(9-3-2-4-13-5-9)16-11-14-6-10(12)7-15-11/h2-8H,12H2,1H3,(H,14,15,16)
InChIKeyZNIFYBXMDIXFAB-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.63
Rot. Bonds3

About 2-N-(1-pyridin-3-ylethyl)pyrimidine-2,5-diamine

2-N-(1-pyridin-3-ylethyl)pyrimidine-2,5-diamine (PubChem CID 61146602) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-N-(1-pyridin-3-ylethyl)pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-(1-pyridin-3-ylethyl)pyrimidine-2,5-diamine
PubChem CID61146602
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name2-N-(1-pyridin-3-ylethyl)pyrimidine-2,5-diamine
SMILESCC(Nc1ncc(N)cn1)c1cccnc1
InChIInChI=1S/C11H13N5/c1-8(9-3-2-4-13-5-9)16-11-14-6-10(12)7-15-11/h2-8H,12H2,1H3,(H,14,15,16)
InChIKeyZNIFYBXMDIXFAB-UHFFFAOYSA-N
XLogP1.63
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-N-(1-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80781008
2-N-(1-pyridin-3-ylethyl)-1,3-thiazole-2,5-diamine
CID 102767611
5-bromo-2-hydrazinyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80907398
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
5-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80779879
5-fluoro-4-N-(1-pyridin-3-ylethyl)pyrimidine-2,4-diamine
CID 80778949
5-chloro-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 114049758
4-propan-2-yloxy-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine
CID 112636707
4-ethoxy-6-hydrazinyl-N-(1-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 80906443
5-propan-2-yloxy-3-N-(1-pyridin-3-ylethyl)benzene-1,3-diamine
CID 80723403
5-bromo-N-(1-pyridin-3-ylethyl)pyridin-2-amine
CID 43523794
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-pyridin-3-ylethyl)pyrimidine-2,5-diamine?
The IUPAC name of 2-N-(1-pyridin-3-ylethyl)pyrimidine-2,5-diamine (CID 61146602) is 2-N-(1-pyridin-3-ylethyl)pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-(1-pyridin-3-ylethyl)pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-(1-pyridin-3-ylethyl)pyrimidine-2,5-diamine is CC(Nc1ncc(N)cn1)c1cccnc1.
What is the InChIKey of 2-N-(1-pyridin-3-ylethyl)pyrimidine-2,5-diamine?
The InChIKey is ZNIFYBXMDIXFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-8(9-3-2-4-13-5-9)16-11-14-6-10(12)7-15-11/h2-8H,12H2,1H3,(H,14,15,16).
What are the key properties of 2-N-(1-pyridin-3-ylethyl)pyrimidine-2,5-diamine?
2-N-(1-pyridin-3-ylethyl)pyrimidine-2,5-diamine has a molecular weight of 215.26 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-pyridin-3-ylethyl)pyrimidine-2,5-diamine is sourced from PubChem (CID 61146602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).