4-N,2-diethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine

C14H19N5 — CID 80933730

IUPAC4-N,2-diethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(N(CC)Cc2ccncc2)n1
InChIInChI=1S/C14H19N5/c1-3-13-17-12(15)9-14(18-13)19(4-2)10-11-5-7-16-8-6-11/h5-9H,3-4,10H2,1-2H3,(H2,15,17,18)
InChIKeyCUYSZXROTXIWHC-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.04
Rot. Bonds5

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

4-N,2-diethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80933730) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-N,2-diethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,2-diethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80933730
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name4-N,2-diethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(N(CC)Cc2ccncc2)n1
InChIInChI=1S/C14H19N5/c1-3-13-17-12(15)9-14(18-13)19(4-2)10-11-5-7-16-8-6-11/h5-9H,3-4,10H2,1-2H3,(H2,15,17,18)
InChIKeyCUYSZXROTXIWHC-UHFFFAOYSA-N
XLogP2.04
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-2-N-(pyridin-4-ylmethyl)pyrazine-2,5-diamine
CID 80653271
2-[(6-amino-2-ethylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
CID 80933068
6-chloro-N-ethyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80545347
4-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 54948605
2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
CID 80934212
4-N,2-diethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 80934889
6-chloro-2-N-ethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80808976
2-N-ethyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine
CID 54948094
4-N-methyl-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80945206
2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carbothioamide
CID 61449400
4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80934593
2-ethyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80994071

Frequently Asked Questions

What is the IUPAC name of 4-N,2-diethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,2-diethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (CID 80933730) is 4-N,2-diethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,2-diethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,2-diethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is CCc1nc(N)cc(N(CC)Cc2ccncc2)n1.
What is the InChIKey of 4-N,2-diethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is CUYSZXROTXIWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-3-13-17-12(15)9-14(18-13)19(4-2)10-11-5-7-16-8-6-11/h5-9H,3-4,10H2,1-2H3,(H2,15,17,18).
What are the key properties of 4-N,2-diethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
4-N,2-diethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,2-diethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80933730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).