4-N-methyl-4-N-(5-methylfuran-2-yl)-6-N-propan-2-ylpyrimidine-4,6-diamine

C13H18N4O — CID 115265789

IUPAC4-N-methyl-4-N-(5-methylfuran-2-yl)-6-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1ccc(N(C)c2cc(NC(C)C)ncn2)o1
InChIInChI=1S/C13H18N4O/c1-9(2)16-11-7-12(15-8-14-11)17(4)13-6-5-10(3)18-13/h5-9H,1-4H3,(H,14,15,16)
InChIKeyJBKKYHDKXHGIIR-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.97
Rot. Bonds4

About 4-N-methyl-4-N-(5-methylfuran-2-yl)-6-N-propan-2-ylpyrimidine-4,6-diamine

4-N-methyl-4-N-(5-methylfuran-2-yl)-6-N-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 115265789) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-N-methyl-4-N-(5-methylfuran-2-yl)-6-N-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(5-methylfuran-2-yl)-6-N-propan-2-ylpyrimidine-4,6-diamine
PubChem CID115265789
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-N-methyl-4-N-(5-methylfuran-2-yl)-6-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1ccc(N(C)c2cc(NC(C)C)ncn2)o1
InChIInChI=1S/C13H18N4O/c1-9(2)16-11-7-12(15-8-14-11)17(4)13-6-5-10(3)18-13/h5-9H,1-4H3,(H,14,15,16)
InChIKeyJBKKYHDKXHGIIR-UHFFFAOYSA-N
XLogP2.97
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(5-methylfuran-2-yl)-6-N-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-4-N-(5-methylfuran-2-yl)-6-N-propan-2-ylpyrimidine-4,6-diamine (CID 115265789) is 4-N-methyl-4-N-(5-methylfuran-2-yl)-6-N-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(5-methylfuran-2-yl)-6-N-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-4-N-(5-methylfuran-2-yl)-6-N-propan-2-ylpyrimidine-4,6-diamine is Cc1ccc(N(C)c2cc(NC(C)C)ncn2)o1.
What is the InChIKey of 4-N-methyl-4-N-(5-methylfuran-2-yl)-6-N-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is JBKKYHDKXHGIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9(2)16-11-7-12(15-8-14-11)17(4)13-6-5-10(3)18-13/h5-9H,1-4H3,(H,14,15,16).
What are the key properties of 4-N-methyl-4-N-(5-methylfuran-2-yl)-6-N-propan-2-ylpyrimidine-4,6-diamine?
4-N-methyl-4-N-(5-methylfuran-2-yl)-6-N-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 246.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(5-methylfuran-2-yl)-6-N-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 115265789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).