6-N-(furan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine

C11H15N5O — CID 19136939

IUPAC6-N-(furan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
SMILESCN(C)c1ncnc(NCc2ccco2)c1N
InChIInChI=1S/C11H15N5O/c1-16(2)11-9(12)10(14-7-15-11)13-6-8-4-3-5-17-8/h3-5,7H,6,12H2,1-2H3,(H,13,14,15)
InChIKeyKDEKOITUCAXYFO-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.33
Rot. Bonds4

About 6-N-(furan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine

6-N-(furan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine (PubChem CID 19136939) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 6-N-(furan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(furan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
PubChem CID19136939
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name6-N-(furan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
SMILESCN(C)c1ncnc(NCc2ccco2)c1N
InChIInChI=1S/C11H15N5O/c1-16(2)11-9(12)10(14-7-15-11)13-6-8-4-3-5-17-8/h3-5,7H,6,12H2,1-2H3,(H,13,14,15)
InChIKeyKDEKOITUCAXYFO-UHFFFAOYSA-N
XLogP1.33
TPSA80.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,5,6-triamine
CID 19146076
6-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
CID 19146084
4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80766445
4-N-(furan-2-ylmethyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5,6-triamine
CID 19142538
6-N-[(2-chlorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 19146169
4-N-(furan-2-ylmethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455196
6-N-[(2-chlorophenyl)methyl]-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
CID 19137045
4-N-(2,5-dimethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 19142691
4-N,4-N-dimethyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542727
4-N-(5-chloro-2-methoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22546010
6-N-(furan-2-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19146156
6-(4-bromophenoxy)-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine
CID 19146183

Frequently Asked Questions

What is the IUPAC name of 6-N-(furan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(furan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine (CID 19136939) is 6-N-(furan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(furan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(furan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine is CN(C)c1ncnc(NCc2ccco2)c1N.
What is the InChIKey of 6-N-(furan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine?
The InChIKey is KDEKOITUCAXYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-16(2)11-9(12)10(14-7-15-11)13-6-8-4-3-5-17-8/h3-5,7H,6,12H2,1-2H3,(H,13,14,15).
What are the key properties of 6-N-(furan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine?
6-N-(furan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine has a molecular weight of 233.28 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(furan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19136939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).