N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrazin-2-amine

C13H13N3O — CID 94158654

IUPACN-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrazin-2-amine
SMILESc1ccc2c(c1)OCC[C@@H]2Nc1cnccn1
InChIInChI=1S/C13H13N3O/c1-2-4-12-10(3-1)11(5-8-17-12)16-13-9-14-6-7-15-13/h1-4,6-7,9,11H,5,8H2,(H,15,16)/t11-/m0/s1
InChIKeyATLDPSWLCYVVRU-NSHDSACASA-N
MW227.27 g/mol
LogP2.41
Rot. Bonds2

About N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrazin-2-amine

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrazin-2-amine (PubChem CID 94158654) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrazin-2-amine
PubChem CID94158654
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrazin-2-amine
SMILESc1ccc2c(c1)OCC[C@@H]2Nc1cnccn1
InChIInChI=1S/C13H13N3O/c1-2-4-12-10(3-1)11(5-8-17-12)16-13-9-14-6-7-15-13/h1-4,6-7,9,11H,5,8H2,(H,15,16)/t11-/m0/s1
InChIKeyATLDPSWLCYVVRU-NSHDSACASA-N
XLogP2.41
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-yl)-N-pyrazin-2-ylacetamide
CID 75508730
2-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carboxylic acid
CID 60716381
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(pyrazin-2-ylamino)ethyl]guanidine;hydroiodide
CID 119140787
N-(3,4-dihydro-2H-chromen-4-yl)-2-hydrazinylpyridin-4-amine
CID 113368245
4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80827015
2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine
CID 62366962
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
N-(3,4-dihydro-2H-chromen-4-yl)-2-methylpyridin-3-amine
CID 79042451
N-(3,4-dihydro-2H-chromen-4-yl)-6-phenylpyrimidin-4-amine
CID 108774219
N-(3,4-dihydro-2H-chromen-4-yl)-5-methoxypyrimidin-2-amine
CID 114600554
N-(3,4-dihydro-2H-chromen-4-yl)-5-methylpyridin-3-amine
CID 103932297

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrazin-2-amine?
The IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrazin-2-amine (CID 94158654) is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrazin-2-amine.
What is the SMILES notation for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrazin-2-amine?
The canonical SMILES for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrazin-2-amine is c1ccc2c(c1)OCC[C@@H]2Nc1cnccn1.
What is the InChIKey of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrazin-2-amine?
The InChIKey is ATLDPSWLCYVVRU-NSHDSACASA-N. The full InChI is InChI=1S/C13H13N3O/c1-2-4-12-10(3-1)11(5-8-17-12)16-13-9-14-6-7-15-13/h1-4,6-7,9,11H,5,8H2,(H,15,16)/t11-/m0/s1.
What are the key properties of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrazin-2-amine?
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrazin-2-amine has a molecular weight of 227.27 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrazin-2-amine is sourced from PubChem (CID 94158654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).