2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine

C15H17N3O2 — CID 72901870

IUPAC2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine
SMILESCOc1cccc2c1OCC(Cc1nccc(N)n1)C2
InChIInChI=1S/C15H17N3O2/c1-19-12-4-2-3-11-7-10(9-20-15(11)12)8-14-17-6-5-13(16)18-14/h2-6,10H,7-9H2,1H3,(H2,16,17,18)
InChIKeyOQXDILAUVLTIBW-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.86
Rot. Bonds3

About 2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine

2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine (PubChem CID 72901870) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine
PubChem CID72901870
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine
SMILESCOc1cccc2c1OCC(Cc1nccc(N)n1)C2
InChIInChI=1S/C15H17N3O2/c1-19-12-4-2-3-11-7-10(9-20-15(11)12)8-14-17-6-5-13(16)18-14/h2-6,10H,7-9H2,1H3,(H2,16,17,18)
InChIKeyOQXDILAUVLTIBW-UHFFFAOYSA-N
XLogP1.86
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-methylpyrimidin-4-amine
CID 97275974
4,6-dimethoxy-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyrimidine
CID 97198058
1-[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-yl]piperidin-4-ol
CID 72892173
6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine
CID 72847083
2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridine
CID 72901612
2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-(trifluoromethyl)pyridine
CID 72928065
4-N-cyclopropyl-6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidine-2,4-diamine
CID 72899135
6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-N,N-dimethylpyridazin-3-amine
CID 72853363
2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide
CID 97286229
2-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-methylpyridine-3-carboxamide
CID 97202786
1-[[4-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]methyl]imidazole
CID 72861996
2-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenoxy]acetamide
CID 97272947

Frequently Asked Questions

What is the IUPAC name of 2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine (CID 72901870) is 2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine is COc1cccc2c1OCC(Cc1nccc(N)n1)C2.
What is the InChIKey of 2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is OQXDILAUVLTIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-19-12-4-2-3-11-7-10(9-20-15(11)12)8-14-17-6-5-13(16)18-14/h2-6,10H,7-9H2,1H3,(H2,16,17,18).
What are the key properties of 2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine?
2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 271.32 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 72901870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).