2-N-(3,4-dihydro-2H-chromen-4-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine

C15H18N4O — CID 133383075

IUPAC2-N-(3,4-dihydro-2H-chromen-4-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1ccnc(NC2CCOc3ccccc32)n1
InChIInChI=1S/C15H18N4O/c1-19(2)14-7-9-16-15(18-14)17-12-8-10-20-13-6-4-3-5-11(12)13/h3-7,9,12H,8,10H2,1-2H3,(H,16,17,18)
InChIKeyKXLYLYUMZYXFJP-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.48
Rot. Bonds3

About 2-N-(3,4-dihydro-2H-chromen-4-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine

2-N-(3,4-dihydro-2H-chromen-4-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 133383075) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-N-(3,4-dihydro-2H-chromen-4-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,4-dihydro-2H-chromen-4-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID133383075
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-N-(3,4-dihydro-2H-chromen-4-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1ccnc(NC2CCOc3ccccc32)n1
InChIInChI=1S/C15H18N4O/c1-19(2)14-7-9-16-15(18-14)17-12-8-10-20-13-6-4-3-5-11(12)13/h3-7,9,12H,8,10H2,1-2H3,(H,16,17,18)
InChIKeyKXLYLYUMZYXFJP-UHFFFAOYSA-N
XLogP2.48
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dihydro-2H-chromen-4-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,4-dihydro-2H-chromen-4-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine (CID 133383075) is 2-N-(3,4-dihydro-2H-chromen-4-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,4-dihydro-2H-chromen-4-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,4-dihydro-2H-chromen-4-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine is CN(C)c1ccnc(NC2CCOc3ccccc32)n1.
What is the InChIKey of 2-N-(3,4-dihydro-2H-chromen-4-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is KXLYLYUMZYXFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-19(2)14-7-9-16-15(18-14)17-12-8-10-20-13-6-4-3-5-11(12)13/h3-7,9,12H,8,10H2,1-2H3,(H,16,17,18).
What are the key properties of 2-N-(3,4-dihydro-2H-chromen-4-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine?
2-N-(3,4-dihydro-2H-chromen-4-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 270.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dihydro-2H-chromen-4-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 133383075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).