4-N-(furan-2-ylmethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine

C19H22N4O — CID 112915161

IUPAC4-N-(furan-2-ylmethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccco2)nc(NCCCc2ccccc2)n1
InChIInChI=1S/C19H22N4O/c1-15-13-18(21-14-17-10-6-12-24-17)23-19(22-15)20-11-5-9-16-7-3-2-4-8-16/h2-4,6-8,10,12-13H,5,9,11,14H2,1H3,(H2,20,21,22,23)
InChIKeyDVFPTWOBBNCUNG-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.03
Rot. Bonds8

About 4-N-(furan-2-ylmethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine

4-N-(furan-2-ylmethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine (PubChem CID 112915161) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-N-(furan-2-ylmethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(furan-2-ylmethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
PubChem CID112915161
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name4-N-(furan-2-ylmethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccco2)nc(NCCCc2ccccc2)n1
InChIInChI=1S/C19H22N4O/c1-15-13-18(21-14-17-10-6-12-24-17)23-19(22-15)20-11-5-9-16-7-3-2-4-8-16/h2-4,6-8,10,12-13H,5,9,11,14H2,1H3,(H2,20,21,22,23)
InChIKeyDVFPTWOBBNCUNG-UHFFFAOYSA-N
XLogP4.03
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.03
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-(furan-2-ylmethyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112915130
4-N-(furan-2-ylmethyl)-2-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112915134
6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112920056
4-N-(furan-2-ylmethyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915116
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112915129
2-(furan-2-ylmethylamino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109326812
6-methyl-4-N-pentyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924404
4-N-[2-(2-fluorophenyl)ethyl]-2-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 112915304
4-N-(2-methoxyethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112911380
2-N-(3-methoxypropyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112911933
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112920850
2-N-[(4-chlorophenyl)methyl]-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112918090

Frequently Asked Questions

What is the IUPAC name of 4-N-(furan-2-ylmethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(furan-2-ylmethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine (CID 112915161) is 4-N-(furan-2-ylmethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(furan-2-ylmethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(furan-2-ylmethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine is Cc1cc(NCc2ccco2)nc(NCCCc2ccccc2)n1.
What is the InChIKey of 4-N-(furan-2-ylmethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The InChIKey is DVFPTWOBBNCUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-15-13-18(21-14-17-10-6-12-24-17)23-19(22-15)20-11-5-9-16-7-3-2-4-8-16/h2-4,6-8,10,12-13H,5,9,11,14H2,1H3,(H2,20,21,22,23).
What are the key properties of 4-N-(furan-2-ylmethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine has a molecular weight of 322.41 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(furan-2-ylmethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112915161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).