4-N-ethyl-2-N,4-N-dimethyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

C14H19N5 — CID 50959733

IUPAC4-N-ethyl-2-N,4-N-dimethyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCCN(C)c1ccnc(N(C)Cc2cccnc2)n1
InChIInChI=1S/C14H19N5/c1-4-18(2)13-7-9-16-14(17-13)19(3)11-12-6-5-8-15-10-12/h5-10H,4,11H2,1-3H3
InChIKeyIKBCKGWGAJJMLJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.96
Rot. Bonds5

About 4-N-ethyl-2-N,4-N-dimethyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

4-N-ethyl-2-N,4-N-dimethyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 50959733) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-N-ethyl-2-N,4-N-dimethyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N,4-N-dimethyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID50959733
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name4-N-ethyl-2-N,4-N-dimethyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCCN(C)c1ccnc(N(C)Cc2cccnc2)n1
InChIInChI=1S/C14H19N5/c1-4-18(2)13-7-9-16-14(17-13)19(3)11-12-6-5-8-15-10-12/h5-10H,4,11H2,1-3H3
InChIKeyIKBCKGWGAJJMLJ-UHFFFAOYSA-N
XLogP1.96
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,4,6-trimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 78845350
5-(aminomethyl)-N,4-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 83186045
2-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-4-carboximidamide
CID 107550165
6-chloro-2-N,4-N,4-N-trimethyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 55125410
2-N-benzyl-2-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112890972
2-N-benzyl-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112891014
[6-[methyl(pyridin-3-ylmethyl)amino]-2-pyridinyl]methanol
CID 62254279
N-methyl-5-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)pyrazin-2-amine
CID 107379230
4-chloro-6-imidazol-1-yl-N-methyl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
CID 62864215
2-N,4-N-dibenzyl-2-N-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112891002
2-N-methyl-2-N-(pyridin-3-ylmethyl)-1,3-thiazole-2,5-diamine
CID 102767637
6-(chloromethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyrazin-2-amine
CID 66467781

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N,4-N-dimethyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N,4-N-dimethyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (CID 50959733) is 4-N-ethyl-2-N,4-N-dimethyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N,4-N-dimethyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N,4-N-dimethyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is CCN(C)c1ccnc(N(C)Cc2cccnc2)n1.
What is the InChIKey of 4-N-ethyl-2-N,4-N-dimethyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is IKBCKGWGAJJMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-4-18(2)13-7-9-16-14(17-13)19(3)11-12-6-5-8-15-10-12/h5-10H,4,11H2,1-3H3.
What are the key properties of 4-N-ethyl-2-N,4-N-dimethyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
4-N-ethyl-2-N,4-N-dimethyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 257.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N,4-N-dimethyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 50959733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).