6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine

C15H17N3O2 — CID 72847083

IUPAC6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine
SMILESCOc1cccc2c1OCC(Cc1cc(N)ncn1)C2
InChIInChI=1S/C15H17N3O2/c1-19-13-4-2-3-11-5-10(8-20-15(11)13)6-12-7-14(16)18-9-17-12/h2-4,7,9-10H,5-6,8H2,1H3,(H2,16,17,18)
InChIKeyFROPDHJFVRZWNI-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.86
Rot. Bonds3

About 6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine

6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine (PubChem CID 72847083) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine
PubChem CID72847083
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine
SMILESCOc1cccc2c1OCC(Cc1cc(N)ncn1)C2
InChIInChI=1S/C15H17N3O2/c1-19-13-4-2-3-11-5-10(8-20-15(11)13)6-12-7-14(16)18-9-17-12/h2-4,7,9-10H,5-6,8H2,1H3,(H2,16,17,18)
InChIKeyFROPDHJFVRZWNI-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

2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine
CID 72901870
2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-(trifluoromethyl)pyridine
CID 72928065
2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridine
CID 72901612
4-N-cyclopropyl-6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidine-2,4-diamine
CID 72899135
4,6-dimethoxy-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyrimidine
CID 97198058
6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-N,N-dimethylpyridazin-3-amine
CID 72853363
3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine
CID 72877522
2-methoxy-5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide
CID 72885583
[6-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 97192014
[6-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 97192015
2-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenoxy]acetamide
CID 97272947
2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide
CID 97286229

Frequently Asked Questions

What is the IUPAC name of 6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine (CID 72847083) is 6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine is COc1cccc2c1OCC(Cc1cc(N)ncn1)C2.
What is the InChIKey of 6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is FROPDHJFVRZWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-19-13-4-2-3-11-5-10(8-20-15(11)13)6-12-7-14(16)18-9-17-12/h2-4,7,9-10H,5-6,8H2,1H3,(H2,16,17,18).
What are the key properties of 6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine?
6-[(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 6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 72847083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).