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

C14H16N4O — CID 80827015

IUPAC4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1nccc(NC2CCOc3ccccc32)n1
InChIInChI=1S/C14H16N4O/c1-15-14-16-8-6-13(18-14)17-11-7-9-19-12-5-3-2-4-10(11)12/h2-6,8,11H,7,9H2,1H3,(H2,15,16,17,18)
InChIKeyJXUHVVUIVKGOQQ-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.45
Rot. Bonds3

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

4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80827015) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID80827015
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1nccc(NC2CCOc3ccccc32)n1
InChIInChI=1S/C14H16N4O/c1-15-14-16-8-6-13(18-14)17-11-7-9-19-12-5-3-2-4-10(11)12/h2-6,8,11H,7,9H2,1H3,(H2,15,16,17,18)
InChIKeyJXUHVVUIVKGOQQ-UHFFFAOYSA-N
XLogP2.45
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,3-dihydro-1-benzofuran-3-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80835565
2-N-(3,4-dihydro-2H-chromen-4-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 133383075
4-N-(3,4-dihydro-2H-chromen-4-yl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80827118
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrazin-2-amine
CID 94158654
6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)pyridin-2-amine
CID 55027626
6-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,6-diamine
CID 80647627
6-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-propylpyridine-2,6-diamine
CID 80801326
2-N-(3,4-dihydro-2H-chromen-4-yl)-6-ethoxypyridine-2,5-diamine
CID 62365052
2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine
CID 62366962
4-N-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-2,4-diamine
CID 102556283
2-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carboxylic acid
CID 60716381
N-(3,4-dihydro-2H-chromen-4-yl)-2-methylpyridin-3-amine
CID 79042451

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-methylpyrimidine-2,4-diamine (CID 80827015) is 4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-methylpyrimidine-2,4-diamine is CNc1nccc(NC2CCOc3ccccc32)n1.
What is the InChIKey of 4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is JXUHVVUIVKGOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-15-14-16-8-6-13(18-14)17-11-7-9-19-12-5-3-2-4-10(11)12/h2-6,8,11H,7,9H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-methylpyrimidine-2,4-diamine?
4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 256.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80827015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).