6-N-butyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

C20H23N5 — CID 112879729

IUPAC6-N-butyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCCNc1cc(NCc2cccnc2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H23N5/c1-2-3-12-22-18-13-19(23-15-16-8-7-11-21-14-16)25-20(24-18)17-9-5-4-6-10-17/h4-11,13-14H,2-3,12,15H2,1H3,(H2,22,23,24,25)
InChIKeyBQRTWGSDDQHIAR-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.36
Rot. Bonds8

About 6-N-butyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

6-N-butyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112879729) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 6-N-butyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-butyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112879729
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name6-N-butyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCCNc1cc(NCc2cccnc2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H23N5/c1-2-3-12-22-18-13-19(23-15-16-8-7-11-21-14-16)25-20(24-18)17-9-5-4-6-10-17/h4-11,13-14H,2-3,12,15H2,1H3,(H2,22,23,24,25)
InChIKeyBQRTWGSDDQHIAR-UHFFFAOYSA-N
XLogP4.36
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.36
H-Bond Donors ≤ 52
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-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881219
6-N-[(4-methylphenyl)methyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881246
2-methyl-6-N-pentyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112873406
N-pentyl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112854090
4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879191
4-N-butyl-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112908111
6-N-butyl-4-N-[(3,4-dimethoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine
CID 112879734
4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879234
6-N-[2-(cyclohexen-1-yl)ethyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112880224
6-N-butyl-4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112879724
6-phenyl-4-N-(3-phenylpropyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112937291
6-(3-methoxypropylamino)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 112853302

Frequently Asked Questions

What is the IUPAC name of 6-N-butyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-butyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine (CID 112879729) is 6-N-butyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-butyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-butyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine is CCCCNc1cc(NCc2cccnc2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-N-butyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is BQRTWGSDDQHIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-2-3-12-22-18-13-19(23-15-16-8-7-11-21-14-16)25-20(24-18)17-9-5-4-6-10-17/h4-11,13-14H,2-3,12,15H2,1H3,(H2,22,23,24,25).
What are the key properties of 6-N-butyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
6-N-butyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 333.44 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112879729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).