6-N-(3-phenylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine

C19H21N5 — CID 112860904

IUPAC6-N-(3-phenylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESc1ccc(CCCNc2cc(NCc3ccncc3)ncn2)cc1
InChIInChI=1S/C19H21N5/c1-2-5-16(6-3-1)7-4-10-21-18-13-19(24-15-23-18)22-14-17-8-11-20-12-9-17/h1-3,5-6,8-9,11-13,15H,4,7,10,14H2,(H2,21,22,23,24)
InChIKeyIQNLYGGTCDNWCW-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.53
Rot. Bonds8

About 6-N-(3-phenylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine

6-N-(3-phenylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112860904) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 6-N-(3-phenylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3-phenylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112860904
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name6-N-(3-phenylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESc1ccc(CCCNc2cc(NCc3ccncc3)ncn2)cc1
InChIInChI=1S/C19H21N5/c1-2-5-16(6-3-1)7-4-10-21-18-13-19(24-15-23-18)22-14-17-8-11-20-12-9-17/h1-3,5-6,8-9,11-13,15H,4,7,10,14H2,(H2,21,22,23,24)
InChIKeyIQNLYGGTCDNWCW-UHFFFAOYSA-N
XLogP3.53
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.53
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

4-N-methyl-6-N-(3-phenylpropyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861804
6-N-[2-(dimethylamino)ethyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112857392
6-ethoxy-N-(3-phenylpropyl)pyrimidin-4-amine
CID 66328382
4-N-[(2-fluorophenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112859560
4-[2-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112860886
4-N-benzyl-6-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 167864610
4-N,4-N-diethyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112863444
4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112863632
4-N-(3-methylphenyl)-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112863578
4-N-methyl-4-N-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112860925
4-N-benzylpyrimidine-4,6-diamine
CID 3031503
4-N-[(4-chlorophenyl)methyl]-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112872700

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-phenylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3-phenylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (CID 112860904) is 6-N-(3-phenylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3-phenylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3-phenylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is c1ccc(CCCNc2cc(NCc3ccncc3)ncn2)cc1.
What is the InChIKey of 6-N-(3-phenylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is IQNLYGGTCDNWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-2-5-16(6-3-1)7-4-10-21-18-13-19(24-15-23-18)22-14-17-8-11-20-12-9-17/h1-3,5-6,8-9,11-13,15H,4,7,10,14H2,(H2,21,22,23,24).
What are the key properties of 6-N-(3-phenylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
6-N-(3-phenylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 319.41 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-phenylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112860904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).