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

C18H20N4O — CID 112915130

IUPAC4-N-(furan-2-ylmethyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccco2)nc(NCCc2ccccc2)n1
InChIInChI=1S/C18H20N4O/c1-14-12-17(20-13-16-8-5-11-23-16)22-18(21-14)19-10-9-15-6-3-2-4-7-15/h2-8,11-12H,9-10,13H2,1H3,(H2,19,20,21,22)
InChIKeyRNQCILKEMKPAFC-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.64
Rot. Bonds7

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

4-N-(furan-2-ylmethyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine (PubChem CID 112915130) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 4-N-(furan-2-ylmethyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(furan-2-ylmethyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
PubChem CID112915130
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name4-N-(furan-2-ylmethyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccco2)nc(NCCc2ccccc2)n1
InChIInChI=1S/C18H20N4O/c1-14-12-17(20-13-16-8-5-11-23-16)22-18(21-14)19-10-9-15-6-3-2-4-7-15/h2-8,11-12H,9-10,13H2,1H3,(H2,19,20,21,22)
InChIKeyRNQCILKEMKPAFC-UHFFFAOYSA-N
XLogP3.64
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(furan-2-ylmethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112915161
4-N-(furan-2-ylmethyl)-2-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112915134
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
4-N-[2-(2-fluorophenyl)ethyl]-2-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 112915304
5-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112947185
6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112920056
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920032
6-methyl-4-N-phenyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920202
2-(furan-2-ylmethylamino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109326812
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932522
2-N-(2-tert-butylphenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 112915200

Frequently Asked Questions

What is the IUPAC name of 4-N-(furan-2-ylmethyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(furan-2-ylmethyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine (CID 112915130) is 4-N-(furan-2-ylmethyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(furan-2-ylmethyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(furan-2-ylmethyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine is Cc1cc(NCc2ccco2)nc(NCCc2ccccc2)n1.
What is the InChIKey of 4-N-(furan-2-ylmethyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The InChIKey is RNQCILKEMKPAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-14-12-17(20-13-16-8-5-11-23-16)22-18(21-14)19-10-9-15-6-3-2-4-7-15/h2-8,11-12H,9-10,13H2,1H3,(H2,19,20,21,22).
What are the key properties of 4-N-(furan-2-ylmethyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine?
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine has a molecular weight of 308.39 g/mol, XLogP of 3.64, 7 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-(2-phenylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112915130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).