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

C14H19N5 — CID 80994071

IUPAC2-ethyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(N(C)Cc2ccncc2)n1
InChIInChI=1S/C14H19N5/c1-4-12-17-13(15)10(2)14(18-12)19(3)9-11-5-7-16-8-6-11/h5-8H,4,9H2,1-3H3,(H2,15,17,18)
InChIKeyUFBSSWNKAQCEEF-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.96
Rot. Bonds4

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

2-ethyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80994071) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-ethyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80994071
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-ethyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(N(C)Cc2ccncc2)n1
InChIInChI=1S/C14H19N5/c1-4-12-17-13(15)10(2)14(18-12)19(3)9-11-5-7-16-8-6-11/h5-8H,4,9H2,1-3H3,(H2,15,17,18)
InChIKeyUFBSSWNKAQCEEF-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-6-hydrazinyl-N,5-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80995510
2-cyclopropyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80994161
2-ethyl-4-N,5-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80993245
4-N-benzyl-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80977163
2-ethyl-4-N-[(2-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80987779
2-ethyl-4-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80993286
2-ethyl-5-methyl-6-pyridin-4-ylpyrimidin-4-amine
CID 80975340
2-ethyl-4-N,5-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-4,6-diamine
CID 112667604
4-N-[(3-bromophenyl)methyl]-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80986668
4-N-(2-ethoxyethyl)-2-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 81067549
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-benzylamino]ethanol
CID 80984868
2-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80984730

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (CID 80994071) is 2-ethyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is CCc1nc(N)c(C)c(N(C)Cc2ccncc2)n1.
What is the InChIKey of 2-ethyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is UFBSSWNKAQCEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-4-12-17-13(15)10(2)14(18-12)19(3)9-11-5-7-16-8-6-11/h5-8H,4,9H2,1-3H3,(H2,15,17,18).
What are the key properties of 2-ethyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
2-ethyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 257.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80994071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).