4-N-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-2,4-diamine

C14H16N4O — CID 102556283

IUPAC4-N-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NC2CCOc3ccccc32)nc(N)n1
InChIInChI=1S/C14H16N4O/c1-9-8-13(18-14(15)16-9)17-11-6-7-19-12-5-3-2-4-10(11)12/h2-5,8,11H,6-7H2,1H3,(H3,15,16,17,18)
InChIKeyQQLRIVMSLUNFPC-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.30
Rot. Bonds2

About 4-N-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-2,4-diamine

4-N-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-2,4-diamine (PubChem CID 102556283) 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)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-2,4-diamine
PubChem CID102556283
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-N-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NC2CCOc3ccccc32)nc(N)n1
InChIInChI=1S/C14H16N4O/c1-9-8-13(18-14(15)16-9)17-11-6-7-19-12-5-3-2-4-10(11)12/h2-5,8,11H,6-7H2,1H3,(H3,15,16,17,18)
InChIKeyQQLRIVMSLUNFPC-UHFFFAOYSA-N
XLogP2.30
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3,4-dihydro-2H-chromen-4-yl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80827118
6-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,6-diamine
CID 80647627
6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine
CID 80826648
N-(3,4-dihydro-2H-chromen-4-yl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66326094
2-(3,4-dihydro-2H-chromen-4-ylamino)-4,6-dimethylpyridine-3-carbonitrile
CID 60724407
1-N-(3,4-dihydro-2H-chromen-4-yl)-2-methylbenzene-1,4-diamine
CID 62364894
2-N-(3,4-dihydro-2H-chromen-4-yl)-6-ethoxypyridine-2,5-diamine
CID 62365052
6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)pyridin-2-amine
CID 55027626
6-(difluoromethyl)-2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine
CID 16750555
2-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzene-1,2-diamine
CID 115550430
4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80827015
6-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-propylpyridine-2,6-diamine
CID 80801326

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-2,4-diamine (CID 102556283) is 4-N-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-2,4-diamine is Cc1cc(NC2CCOc3ccccc32)nc(N)n1.
What is the InChIKey of 4-N-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is QQLRIVMSLUNFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9-8-13(18-14(15)16-9)17-11-6-7-19-12-5-3-2-4-10(11)12/h2-5,8,11H,6-7H2,1H3,(H3,15,16,17,18).
What are the key properties of 4-N-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-2,4-diamine?
4-N-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 256.31 g/mol, XLogP of 2.30, 2 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)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 102556283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).