4-N-ethyl-2,5-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine

C14H19N5 — CID 80851701

IUPAC4-N-ethyl-2,5-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCN(Cc1ccccn1)c1nc(C)nc(N)c1C
InChIInChI=1S/C14H19N5/c1-4-19(9-12-7-5-6-8-16-12)14-10(2)13(15)17-11(3)18-14/h5-8H,4,9H2,1-3H3,(H2,15,17,18)
InChIKeyILEABDSXYNHZEF-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.10
Rot. Bonds4

About 4-N-ethyl-2,5-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine

4-N-ethyl-2,5-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80851701) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-N-ethyl-2,5-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-2,5-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80851701
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name4-N-ethyl-2,5-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCN(Cc1ccccn1)c1nc(C)nc(N)c1C
InChIInChI=1S/C14H19N5/c1-4-19(9-12-7-5-6-8-16-12)14-10(2)13(15)17-11(3)18-14/h5-8H,4,9H2,1-3H3,(H2,15,17,18)
InChIKeyILEABDSXYNHZEF-UHFFFAOYSA-N
XLogP2.10
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-ethyl-4-methyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103364459
6-chloro-N-ethyl-5-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80969977
2-ethyl-4-N,5-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80993245
N-ethyl-4,6-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 133404102
5-amino-6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 103468799
1-[2-[ethyl(pyridin-2-ylmethyl)amino]-3-pyridinyl]ethanone
CID 114055599
6-hydrazinyl-N,2,5-trimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80905729
5-amino-6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 81439693
1-N-ethyl-4-fluoro-5-methyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine
CID 103590580
4-N-ethyl-2-propan-2-yl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80965607
N-ethyl-6-hydrazinyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 80927004
N,6-diethyl-5-fluoro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 133419197

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2,5-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-2,5-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine (CID 80851701) is 4-N-ethyl-2,5-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-2,5-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-2,5-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine is CCN(Cc1ccccn1)c1nc(C)nc(N)c1C.
What is the InChIKey of 4-N-ethyl-2,5-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is ILEABDSXYNHZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-4-19(9-12-7-5-6-8-16-12)14-10(2)13(15)17-11(3)18-14/h5-8H,4,9H2,1-3H3,(H2,15,17,18).
What are the key properties of 4-N-ethyl-2,5-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
4-N-ethyl-2,5-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2,5-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80851701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).