4-N-(1-pyridin-2-ylethyl)pyrimidine-4,5-diamine

C11H13N5 — CID 79916401

IUPAC4-N-(1-pyridin-2-ylethyl)pyrimidine-4,5-diamine
SMILESCC(Nc1ncncc1N)c1ccccn1
InChIInChI=1S/C11H13N5/c1-8(10-4-2-3-5-14-10)16-11-9(12)6-13-7-15-11/h2-8H,12H2,1H3,(H,13,15,16)
InChIKeyDTKLVALHZOWAAK-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.63
Rot. Bonds3

About 4-N-(1-pyridin-2-ylethyl)pyrimidine-4,5-diamine

4-N-(1-pyridin-2-ylethyl)pyrimidine-4,5-diamine (PubChem CID 79916401) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-N-(1-pyridin-2-ylethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(1-pyridin-2-ylethyl)pyrimidine-4,5-diamine
PubChem CID79916401
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name4-N-(1-pyridin-2-ylethyl)pyrimidine-4,5-diamine
SMILESCC(Nc1ncncc1N)c1ccccn1
InChIInChI=1S/C11H13N5/c1-8(10-4-2-3-5-14-10)16-11-9(12)6-13-7-15-11/h2-8H,12H2,1H3,(H,13,15,16)
InChIKeyDTKLVALHZOWAAK-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

3-bromo-2-N-(1-pyridin-2-ylethyl)pyridine-2,5-diamine
CID 79531784
4-N-[1-(3-bromophenyl)ethyl]pyrimidine-4,5-diamine
CID 79917140
2,5-dimethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80781352
5-methyl-2-N-(1-pyridin-2-ylethyl)pyridine-2,4-diamine
CID 83266097
N-(1-pyridin-2-ylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 17418978
4-N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324894
5-amino-2-(1-pyridin-2-ylethylamino)pyridine-3-carboxamide
CID 61360352
6-hydrazinyl-N-(1-pyridin-2-ylethyl)pyrazin-2-amine
CID 80906571
N-[1-(2-aminophenyl)ethyl]-5-iodopyrimidin-4-amine
CID 66318831
4-methyl-1-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine
CID 43524351
5-amino-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one
CID 136973977
5-methyl-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 115922253

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-pyridin-2-ylethyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(1-pyridin-2-ylethyl)pyrimidine-4,5-diamine (CID 79916401) is 4-N-(1-pyridin-2-ylethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(1-pyridin-2-ylethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(1-pyridin-2-ylethyl)pyrimidine-4,5-diamine is CC(Nc1ncncc1N)c1ccccn1.
What is the InChIKey of 4-N-(1-pyridin-2-ylethyl)pyrimidine-4,5-diamine?
The InChIKey is DTKLVALHZOWAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-8(10-4-2-3-5-14-10)16-11-9(12)6-13-7-15-11/h2-8H,12H2,1H3,(H,13,15,16).
What are the key properties of 4-N-(1-pyridin-2-ylethyl)pyrimidine-4,5-diamine?
4-N-(1-pyridin-2-ylethyl)pyrimidine-4,5-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 4-N-(1-pyridin-2-ylethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 79916401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).