[4-[(7-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-6-methylpyrimidin-2-yl]methanol

C16H19N3O3 — CID 154797001

IUPAC[4-[(7-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-6-methylpyrimidin-2-yl]methanol
SMILESCOc1ccc2c(c1)OCCC2Nc1cc(C)nc(CO)n1
InChIInChI=1S/C16H19N3O3/c1-10-7-15(19-16(9-20)17-10)18-13-5-6-22-14-8-11(21-2)3-4-12(13)14/h3-4,7-8,13,20H,5-6,9H2,1-2H3,(H,17,18,19)
InChIKeyHRFWYGNDTZDARX-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.22
Rot. Bonds4

About [4-[(7-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-6-methylpyrimidin-2-yl]methanol

[4-[(7-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-6-methylpyrimidin-2-yl]methanol (PubChem CID 154797001) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is [4-[(7-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-6-methylpyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(7-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-6-methylpyrimidin-2-yl]methanol
PubChem CID154797001
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name[4-[(7-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-6-methylpyrimidin-2-yl]methanol
SMILESCOc1ccc2c(c1)OCCC2Nc1cc(C)nc(CO)n1
InChIInChI=1S/C16H19N3O3/c1-10-7-15(19-16(9-20)17-10)18-13-5-6-22-14-8-11(21-2)3-4-12(13)14/h3-4,7-8,13,20H,5-6,9H2,1-2H3,(H,17,18,19)
InChIKeyHRFWYGNDTZDARX-UHFFFAOYSA-N
XLogP2.22
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[(7-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-6-methylpyrimidin-2-yl]methanol?
The IUPAC name of [4-[(7-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-6-methylpyrimidin-2-yl]methanol (CID 154797001) is [4-[(7-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-6-methylpyrimidin-2-yl]methanol.
What is the SMILES notation for [4-[(7-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-6-methylpyrimidin-2-yl]methanol?
The canonical SMILES for [4-[(7-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-6-methylpyrimidin-2-yl]methanol is COc1ccc2c(c1)OCCC2Nc1cc(C)nc(CO)n1.
What is the InChIKey of [4-[(7-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-6-methylpyrimidin-2-yl]methanol?
The InChIKey is HRFWYGNDTZDARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-7-15(19-16(9-20)17-10)18-13-5-6-22-14-8-11(21-2)3-4-12(13)14/h3-4,7-8,13,20H,5-6,9H2,1-2H3,(H,17,18,19).
What are the key properties of [4-[(7-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-6-methylpyrimidin-2-yl]methanol?
[4-[(7-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-6-methylpyrimidin-2-yl]methanol has a molecular weight of 301.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(7-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-6-methylpyrimidin-2-yl]methanol is sourced from PubChem (CID 154797001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).