4,6-dimethoxy-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyrimidine

C17H20N2O4 — CID 97198058

IUPAC4,6-dimethoxy-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyrimidine
SMILESCOc1cc(OC)nc(C[C@H]2COc3c(cccc3OC)C2)n1
InChIInChI=1S/C17H20N2O4/c1-20-13-6-4-5-12-7-11(10-23-17(12)13)8-14-18-15(21-2)9-16(19-14)22-3/h4-6,9,11H,7-8,10H2,1-3H3/t11-/m0/s1
InChIKeyHCIUWHAHHXJCEB-NSHDSACASA-N
MW316.36 g/mol
LogP2.30
Rot. Bonds5

About 4,6-dimethoxy-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyrimidine

4,6-dimethoxy-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyrimidine (PubChem CID 97198058) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4,6-dimethoxy-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyrimidine
PubChem CID97198058
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name4,6-dimethoxy-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyrimidine
SMILESCOc1cc(OC)nc(C[C@H]2COc3c(cccc3OC)C2)n1
InChIInChI=1S/C17H20N2O4/c1-20-13-6-4-5-12-7-11(10-23-17(12)13)8-14-18-15(21-2)9-16(19-14)22-3/h4-6,9,11H,7-8,10H2,1-3H3/t11-/m0/s1
InChIKeyHCIUWHAHHXJCEB-NSHDSACASA-N
XLogP2.30
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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]-6-methylpyridine
CID 72901612
N-ethyl-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-methylpyrimidin-4-amine
CID 97275974
6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine
CID 72847083
4-N-cyclopropyl-6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidine-2,4-diamine
CID 72899135
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]-N,N-dimethylpyridazin-3-amine
CID 72853363
2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-(trifluoromethyl)pyridine
CID 72928065
2-methoxy-5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide
CID 72885583
3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine
CID 72877522
3-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-methylbenzamide
CID 97269613
2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide
CID 97286229

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyrimidine?
The IUPAC name of 4,6-dimethoxy-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyrimidine (CID 97198058) is 4,6-dimethoxy-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyrimidine.
What is the SMILES notation for 4,6-dimethoxy-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyrimidine?
The canonical SMILES for 4,6-dimethoxy-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyrimidine is COc1cc(OC)nc(C[C@H]2COc3c(cccc3OC)C2)n1.
What is the InChIKey of 4,6-dimethoxy-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyrimidine?
The InChIKey is HCIUWHAHHXJCEB-NSHDSACASA-N. The full InChI is InChI=1S/C17H20N2O4/c1-20-13-6-4-5-12-7-11(10-23-17(12)13)8-14-18-15(21-2)9-16(19-14)22-3/h4-6,9,11H,7-8,10H2,1-3H3/t11-/m0/s1.
What are the key properties of 4,6-dimethoxy-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyrimidine?
4,6-dimethoxy-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyrimidine has a molecular weight of 316.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyrimidine is sourced from PubChem (CID 97198058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).