4-N-(furan-2-ylmethyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine

C17H18N4O — CID 112858549

IUPAC4-N-(furan-2-ylmethyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCc1cccc(CNc2cc(NCc3ccco3)ncn2)c1
InChIInChI=1S/C17H18N4O/c1-13-4-2-5-14(8-13)10-18-16-9-17(21-12-20-16)19-11-15-6-3-7-22-15/h2-9,12H,10-11H2,1H3,(H2,18,19,20,21)
InChIKeyMTBCNICZFCLASS-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.60
Rot. Bonds6

About 4-N-(furan-2-ylmethyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine

4-N-(furan-2-ylmethyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine (PubChem CID 112858549) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-N-(furan-2-ylmethyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(furan-2-ylmethyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
PubChem CID112858549
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name4-N-(furan-2-ylmethyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCc1cccc(CNc2cc(NCc3ccco3)ncn2)c1
InChIInChI=1S/C17H18N4O/c1-13-4-2-5-14(8-13)10-18-16-9-17(21-12-20-16)19-11-15-6-3-7-22-15/h2-9,12H,10-11H2,1H3,(H2,18,19,20,21)
InChIKeyMTBCNICZFCLASS-UHFFFAOYSA-N
XLogP3.60
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(furan-2-ylmethyl)-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112858616
6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791292
6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791044
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858581
4-N-tert-butyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859062
4-N-tert-butyl-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858600
6-N-[(3-methylphenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265810
6-N-(furan-2-ylmethyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112858658
6-N-[(3-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112859074
4-N-benzyl-6-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 167864610
6-N-[2-(dimethylamino)ethyl]-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112857378
4-N-(2,6-diethylphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858634

Frequently Asked Questions

What is the IUPAC name of 4-N-(furan-2-ylmethyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(furan-2-ylmethyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine (CID 112858549) is 4-N-(furan-2-ylmethyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(furan-2-ylmethyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(furan-2-ylmethyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine is Cc1cccc(CNc2cc(NCc3ccco3)ncn2)c1.
What is the InChIKey of 4-N-(furan-2-ylmethyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is MTBCNICZFCLASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-13-4-2-5-14(8-13)10-18-16-9-17(21-12-20-16)19-11-15-6-3-7-22-15/h2-9,12H,10-11H2,1H3,(H2,18,19,20,21).
What are the key properties of 4-N-(furan-2-ylmethyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine?
4-N-(furan-2-ylmethyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 294.36 g/mol, XLogP of 3.60, 6 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-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112858549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).