4-N-methyl-6-N-(3-phenylpropyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine

C21H25N5 — CID 112861804

IUPAC4-N-methyl-6-N-(3-phenylpropyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
SMILESCN(CCc1ccncc1)c1cc(NCCCc2ccccc2)ncn1
InChIInChI=1S/C21H25N5/c1-26(15-11-19-9-13-22-14-10-19)21-16-20(24-17-25-21)23-12-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-10,13-14,16-17H,5,8,11-12,15H2,1H3,(H,23,24,25)
InChIKeyZHUGKRYCTASMKB-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.60
Rot. Bonds9

About 4-N-methyl-6-N-(3-phenylpropyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine

4-N-methyl-6-N-(3-phenylpropyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine (PubChem CID 112861804) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 4-N-methyl-6-N-(3-phenylpropyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-6-N-(3-phenylpropyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
PubChem CID112861804
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name4-N-methyl-6-N-(3-phenylpropyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
SMILESCN(CCc1ccncc1)c1cc(NCCCc2ccccc2)ncn1
InChIInChI=1S/C21H25N5/c1-26(15-11-19-9-13-22-14-10-19)21-16-20(24-17-25-21)23-12-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-10,13-14,16-17H,5,8,11-12,15H2,1H3,(H,23,24,25)
InChIKeyZHUGKRYCTASMKB-UHFFFAOYSA-N
XLogP3.60
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861272
6-N-tert-butyl-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861806
6-N-(3-phenylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112860904
4-N,4-N-diethyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112863444
4-N-methyl-6-N-[(4-methylphenyl)methyl]-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112859168
4-N-methyl-6-N-(4-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861821
6-N-(2,6-diethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861838
6-N-butyl-4-N-methyl-2-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112879731
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109173170
4-N-methyl-6-N-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80787031
6-N-(2,3-dichlorophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861905
6-N-(4-methoxyphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861859

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-N-(3-phenylpropyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-6-N-(3-phenylpropyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine (CID 112861804) is 4-N-methyl-6-N-(3-phenylpropyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-6-N-(3-phenylpropyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-6-N-(3-phenylpropyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine is CN(CCc1ccncc1)c1cc(NCCCc2ccccc2)ncn1.
What is the InChIKey of 4-N-methyl-6-N-(3-phenylpropyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is ZHUGKRYCTASMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-26(15-11-19-9-13-22-14-10-19)21-16-20(24-17-25-21)23-12-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-10,13-14,16-17H,5,8,11-12,15H2,1H3,(H,23,24,25).
What are the key properties of 4-N-methyl-6-N-(3-phenylpropyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
4-N-methyl-6-N-(3-phenylpropyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 347.47 g/mol, XLogP of 3.60, 9 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-(3-phenylpropyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112861804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).