6-N-butyl-4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine

C19H22N4O — CID 112879724

IUPAC6-N-butyl-4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
SMILESCCCCNc1cc(NCc2ccco2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H22N4O/c1-2-3-11-20-17-13-18(21-14-16-10-7-12-24-16)23-19(22-17)15-8-5-4-6-9-15/h4-10,12-13H,2-3,11,14H2,1H3,(H2,20,21,22,23)
InChIKeyGHWAEUVQGDTOHJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.56
Rot. Bonds8

About 6-N-butyl-4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine

6-N-butyl-4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine (PubChem CID 112879724) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 6-N-butyl-4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-butyl-4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
PubChem CID112879724
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name6-N-butyl-4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
SMILESCCCCNc1cc(NCc2ccco2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H22N4O/c1-2-3-11-20-17-13-18(21-14-16-10-7-12-24-16)23-19(22-17)15-8-5-4-6-9-15/h4-10,12-13H,2-3,11,14H2,1H3,(H2,20,21,22,23)
InChIKeyGHWAEUVQGDTOHJ-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
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)-2-phenylpyrimidine-4,6-diamine
CID 115915230
4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879234
N-(furan-2-ylmethyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine
CID 4099468
6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxylic acid
CID 82170122
4-N-cyclohexyl-6-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880164
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932522
6-N-butyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112879729
N-[3-[[6-(furan-2-ylmethylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112881203
4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879191
N-(furan-2-ylmethyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine
CID 3314360
N-(furan-2-ylmethyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112880103
6-N-butyl-4-N-[(3,4-dimethoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine
CID 112879734

Frequently Asked Questions

What is the IUPAC name of 6-N-butyl-4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-butyl-4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine (CID 112879724) is 6-N-butyl-4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-butyl-4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-butyl-4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine is CCCCNc1cc(NCc2ccco2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-N-butyl-4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine?
The InChIKey is GHWAEUVQGDTOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-2-3-11-20-17-13-18(21-14-16-10-7-12-24-16)23-19(22-17)15-8-5-4-6-9-15/h4-10,12-13H,2-3,11,14H2,1H3,(H2,20,21,22,23).
What are the key properties of 6-N-butyl-4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine?
6-N-butyl-4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine has a molecular weight of 322.41 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butyl-4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112879724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).