4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine

C11H13N5 — CID 80790889

IUPAC4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
SMILESNc1cc(NCCc2ccncc2)ncn1
InChIInChI=1S/C11H13N5/c12-10-7-11(16-8-15-10)14-6-3-9-1-4-13-5-2-9/h1-2,4-5,7-8H,3,6H2,(H3,12,14,15,16)
InChIKeyQQIFGLSXEWXNDG-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.11
Rot. Bonds4

About 4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine

4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80790889) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
PubChem CID80790889
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
SMILESNc1cc(NCCc2ccncc2)ncn1
InChIInChI=1S/C11H13N5/c12-10-7-11(16-8-15-10)14-6-3-9-1-4-13-5-2-9/h1-2,4-5,7-8H,3,6H2,(H3,12,14,15,16)
InChIKeyQQIFGLSXEWXNDG-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-2-ylethyl)pyrimidine-4,6-diamine
CID 78929798
4-[2-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112860886
4-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 78929904
6-N-(3-phenylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112860904
6-N-[2-(4-methoxyphenyl)ethyl]-4-N-pyrimidin-4-ylpyrimidine-4,6-diamine
CID 117084589
4-N-benzylpyrimidine-4,6-diamine
CID 3031503
4-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 80770931
N-[2-[(6-aminopyrimidin-4-yl)amino]ethyl]acetamide
CID 79006981
2-(2-pyridin-4-ylethylamino)pyridine-4-carboxylic acid
CID 60903144
N-[2-(4-aminophenyl)ethyl]pyridin-4-amine
CID 61220223
4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 78929804
N-[2-(4-chlorophenyl)ethyl]-6-hydrazinylpyrimidin-4-amine
CID 80899019

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine (CID 80790889) is 4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine is Nc1cc(NCCc2ccncc2)ncn1.
What is the InChIKey of 4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is QQIFGLSXEWXNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c12-10-7-11(16-8-15-10)14-6-3-9-1-4-13-5-2-9/h1-2,4-5,7-8H,3,6H2,(H3,12,14,15,16).
What are the key properties of 4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-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-4-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80790889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).