N-(3,4-dihydro-2H-chromen-4-yl)-5-methoxypyrimidin-2-amine

C14H15N3O2 — CID 114600554

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-5-methoxypyrimidin-2-amine
SMILESCOc1cnc(NC2CCOc3ccccc32)nc1
InChIInChI=1S/C14H15N3O2/c1-18-10-8-15-14(16-9-10)17-12-6-7-19-13-5-3-2-4-11(12)13/h2-5,8-9,12H,6-7H2,1H3,(H,15,16,17)
InChIKeyNTJKEVHIRITBIX-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.42
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-4-yl)-5-methoxypyrimidin-2-amine

N-(3,4-dihydro-2H-chromen-4-yl)-5-methoxypyrimidin-2-amine (PubChem CID 114600554) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-5-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-5-methoxypyrimidin-2-amine
PubChem CID114600554
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-5-methoxypyrimidin-2-amine
SMILESCOc1cnc(NC2CCOc3ccccc32)nc1
InChIInChI=1S/C14H15N3O2/c1-18-10-8-15-14(16-9-10)17-12-6-7-19-13-5-3-2-4-11(12)13/h2-5,8-9,12H,6-7H2,1H3,(H,15,16,17)
InChIKeyNTJKEVHIRITBIX-UHFFFAOYSA-N
XLogP2.42
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-ylamino)-N-hydroxypyrimidine-5-carboxamide
CID 175227622
N-(3-bromo-5-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 82860676
2-(3,4-dihydro-2H-chromen-4-ylamino)-4-methoxybenzonitrile
CID 81296353
2-N-(3,4-dihydro-2H-chromen-4-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 133383075
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrazin-2-amine
CID 94158654
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81367470
4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80801156
N-(3,4-dihydro-2H-chromen-4-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 62366966
N-(3,4-dihydro-2H-chromen-4-yl)-2-methylpyridin-3-amine
CID 79042451
4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80827015
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
N-(3,4-dihydro-2H-chromen-4-yl)-5-methylpyridin-3-amine
CID 103932297

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-5-methoxypyrimidin-2-amine?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-5-methoxypyrimidin-2-amine (CID 114600554) is N-(3,4-dihydro-2H-chromen-4-yl)-5-methoxypyrimidin-2-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-5-methoxypyrimidin-2-amine?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-5-methoxypyrimidin-2-amine is COc1cnc(NC2CCOc3ccccc32)nc1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-5-methoxypyrimidin-2-amine?
The InChIKey is NTJKEVHIRITBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-18-10-8-15-14(16-9-10)17-12-6-7-19-13-5-3-2-4-11(12)13/h2-5,8-9,12H,6-7H2,1H3,(H,15,16,17).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-5-methoxypyrimidin-2-amine?
N-(3,4-dihydro-2H-chromen-4-yl)-5-methoxypyrimidin-2-amine has a molecular weight of 257.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-5-methoxypyrimidin-2-amine is sourced from PubChem (CID 114600554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).