4-N-methyl-6-N-(4-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine

C19H21N5 — CID 112861821

IUPAC4-N-methyl-6-N-(4-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(N(C)CCc3ccncc3)ncn2)cc1
InChIInChI=1S/C19H21N5/c1-15-3-5-17(6-4-15)23-18-13-19(22-14-21-18)24(2)12-9-16-7-10-20-11-8-16/h3-8,10-11,13-14H,9,12H2,1-2H3,(H,21,22,23)
InChIKeyNLSLELUYGBBNNO-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.60
Rot. Bonds6

About 4-N-methyl-6-N-(4-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine

4-N-methyl-6-N-(4-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine (PubChem CID 112861821) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-N-methyl-6-N-(4-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-6-N-(4-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
PubChem CID112861821
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name4-N-methyl-6-N-(4-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(N(C)CCc3ccncc3)ncn2)cc1
InChIInChI=1S/C19H21N5/c1-15-3-5-17(6-4-15)23-18-13-19(22-14-21-18)24(2)12-9-16-7-10-20-11-8-16/h3-8,10-11,13-14H,9,12H2,1-2H3,(H,21,22,23)
InChIKeyNLSLELUYGBBNNO-UHFFFAOYSA-N
XLogP3.60
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(4-methoxyphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861859
4-N-methyl-6-N-[(4-methylphenyl)methyl]-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112859168
6-N-(2-methoxy-5-methylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861862
6-N-tert-butyl-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861806
6-N-(2,6-diethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861838
4-N-methyl-4-N-(2-pyridin-4-ylethyl)-6-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112861914
4-N-benzyl-4-N-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112859473
6-N-(2,3-dichlorophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861905
6-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861907
4-N-methyl-6-N-(3-phenylpropyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861804
3-N-methyl-5-N-(4-methylphenyl)-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112954722
6-N-(3,4-dimethylphenyl)-4-N,2-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112874388

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-N-(4-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-6-N-(4-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine (CID 112861821) is 4-N-methyl-6-N-(4-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-6-N-(4-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-6-N-(4-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine is Cc1ccc(Nc2cc(N(C)CCc3ccncc3)ncn2)cc1.
What is the InChIKey of 4-N-methyl-6-N-(4-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is NLSLELUYGBBNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-15-3-5-17(6-4-15)23-18-13-19(22-14-21-18)24(2)12-9-16-7-10-20-11-8-16/h3-8,10-11,13-14H,9,12H2,1-2H3,(H,21,22,23).
What are the key properties of 4-N-methyl-6-N-(4-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
4-N-methyl-6-N-(4-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 319.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-N-(4-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112861821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).