1-[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-yl]piperidin-4-ol

C20H25N3O3 — CID 72892173

IUPAC1-[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-yl]piperidin-4-ol
SMILESCOc1cccc2c1OCC(Cc1nccc(N3CCC(O)CC3)n1)C2
InChIInChI=1S/C20H25N3O3/c1-25-17-4-2-3-15-11-14(13-26-20(15)17)12-18-21-8-5-19(22-18)23-9-6-16(24)7-10-23/h2-5,8,14,16,24H,6-7,9-13H2,1H3
InChIKeyPRYLUWWRYUHMKN-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.24
Rot. Bonds4

About 1-[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-yl]piperidin-4-ol

1-[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 72892173) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-yl]piperidin-4-ol
PubChem CID72892173
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-yl]piperidin-4-ol
SMILESCOc1cccc2c1OCC(Cc1nccc(N3CCC(O)CC3)n1)C2
InChIInChI=1S/C20H25N3O3/c1-25-17-4-2-3-15-11-14(13-26-20(15)17)12-18-21-8-5-19(22-18)23-9-6-16(24)7-10-23/h2-5,8,14,16,24H,6-7,9-13H2,1H3
InChIKeyPRYLUWWRYUHMKN-UHFFFAOYSA-N
XLogP2.24
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-yl]piperidin-4-ol with MolForge

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Related Compounds

2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine
CID 72901870
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
3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine
CID 72877522
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
[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 72890511
1-[[4-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]methyl]imidazole
CID 72861996
(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7023638
[6-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 97192015
[6-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 97192014
6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine
CID 72847083

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-yl]piperidin-4-ol (CID 72892173) is 1-[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-yl]piperidin-4-ol is COc1cccc2c1OCC(Cc1nccc(N3CCC(O)CC3)n1)C2.
What is the InChIKey of 1-[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is PRYLUWWRYUHMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-25-17-4-2-3-15-11-14(13-26-20(15)17)12-18-21-8-5-19(22-18)23-9-6-16(24)7-10-23/h2-5,8,14,16,24H,6-7,9-13H2,1H3.
What are the key properties of 1-[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-yl]piperidin-4-ol?
1-[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 355.44 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 72892173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).