4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine

C11H13N5 — CID 80791275

IUPAC4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine
SMILESNc1nccc(NCCc2cccnc2)n1
InChIInChI=1S/C11H13N5/c12-11-15-7-4-10(16-11)14-6-3-9-2-1-5-13-8-9/h1-2,4-5,7-8H,3,6H2,(H3,12,14,15,16)
InChIKeyGGXJKWQEFINBCV-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.11
Rot. Bonds4

About 4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine

4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine (PubChem CID 80791275) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine
PubChem CID80791275
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine
SMILESNc1nccc(NCCc2cccnc2)n1
InChIInChI=1S/C11H13N5/c12-11-15-7-4-10(16-11)14-6-3-9-2-1-5-13-8-9/h1-2,4-5,7-8H,3,6H2,(H3,12,14,15,16)
InChIKeyGGXJKWQEFINBCV-UHFFFAOYSA-N
XLogP1.11
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4,6-triamine
CID 80791747
5-bromo-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine
CID 80791970
6-ethoxy-2-N-(2-pyridin-3-ylethyl)pyridine-2,5-diamine
CID 60896057
6-propoxy-2-N-(2-pyridin-3-ylethyl)pyridine-2,5-diamine
CID 60895722
6-N-ethyl-2-N-(2-pyridin-3-ylethyl)pyrazine-2,6-diamine
CID 78990149
4-[2-[[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 117086266
4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80850064
4-N-[2-(3-chlorophenyl)ethyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893601
5-methoxy-N-(2-pyridin-3-ylethyl)pyridin-2-amine
CID 106503992
2,6-dichloro-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 59258790
N-(2-pyridin-3-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60732313
5-bromo-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine
CID 63873791

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine (CID 80791275) is 4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine is Nc1nccc(NCCc2cccnc2)n1.
What is the InChIKey of 4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is GGXJKWQEFINBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c12-11-15-7-4-10(16-11)14-6-3-9-2-1-5-13-8-9/h1-2,4-5,7-8H,3,6H2,(H3,12,14,15,16).
What are the key properties of 4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine?
4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 215.26 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80791275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).