6-N,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine

C12H16N4O — CID 80832158

IUPAC6-N,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCNc1ncnc(NCc2ccc(C)o2)c1C
InChIInChI=1S/C12H16N4O/c1-8-4-5-10(17-8)6-14-12-9(2)11(13-3)15-7-16-12/h4-5,7H,6H2,1-3H3,(H2,13,14,15,16)
InChIKeyKAQOZRJIHNTFIW-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.34
Rot. Bonds4

About 6-N,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine

6-N,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80832158) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 6-N,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80832158
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name6-N,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCNc1ncnc(NCc2ccc(C)o2)c1C
InChIInChI=1S/C12H16N4O/c1-8-4-5-10(17-8)6-14-12-9(2)11(13-3)15-7-16-12/h4-5,7H,6H2,1-3H3,(H2,13,14,15,16)
InChIKeyKAQOZRJIHNTFIW-UHFFFAOYSA-N
XLogP2.34
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine
CID 80833185
4-chloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-5-carbaldehyde
CID 66369011
6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80774342
2,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80833191
5-fluoro-2-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine
CID 80832556
3-fluoro-N-[(5-methylfuran-2-yl)methyl]pyridin-2-amine
CID 62734741
6-ethoxy-N-(furan-2-ylmethyl)-5-methylpyrimidin-4-amine
CID 66326618
4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80766445
2-N-(2,6-dimethylphenyl)-7-N-[(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24883262
1-methyl-3-[(5-methylfuran-2-yl)methylamino]pyrazin-2-one
CID 62940791
2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carbonitrile
CID 62523720
4-N-(cyclobutylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80783503

Frequently Asked Questions

What is the IUPAC name of 6-N,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine (CID 80832158) is 6-N,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine is CNc1ncnc(NCc2ccc(C)o2)c1C.
What is the InChIKey of 6-N,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is KAQOZRJIHNTFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-4-5-10(17-8)6-14-12-9(2)11(13-3)15-7-16-12/h4-5,7H,6H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 6-N,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine?
6-N,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 232.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80832158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).