4-[(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-N,N-dimethylpyrimidin-2-amine

C19H25N5O — CID 97369782

IUPAC4-[(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nccc([C@@H]2C[C@@H]3CCN(Cc4ccccn4)C[C@H]3O2)n1
InChIInChI=1S/C19H25N5O/c1-23(2)19-21-9-6-16(22-19)17-11-14-7-10-24(13-18(14)25-17)12-15-5-3-4-8-20-15/h3-6,8-9,14,17-18H,7,10-13H2,1-2H3/t14-,17-,18+/m0/s1
InChIKeyGZYHDDLRWUCKHD-JCGIZDLHSA-N
MW339.44 g/mol
LogP2.29
Rot. Bonds4

About 4-[(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-N,N-dimethylpyrimidin-2-amine

4-[(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 97369782) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-N,N-dimethylpyrimidin-2-amine
PubChem CID97369782
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name4-[(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nccc([C@@H]2C[C@@H]3CCN(Cc4ccccn4)C[C@H]3O2)n1
InChIInChI=1S/C19H25N5O/c1-23(2)19-21-9-6-16(22-19)17-11-14-7-10-24(13-18(14)25-17)12-15-5-3-4-8-20-15/h3-6,8-9,14,17-18H,7,10-13H2,1-2H3/t14-,17-,18+/m0/s1
InChIKeyGZYHDDLRWUCKHD-JCGIZDLHSA-N
XLogP2.29
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-N,N-dimethylpyrimidin-2-amine with MolForge

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Related Compounds

(2S,3aS,7aS)-2-(2-methylpyrimidin-4-yl)-6-[(3-methylthiophen-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97369771
(2R,3aS,7aR)-6-(furan-3-ylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97388672
(2S,3aR,7aR)-6-[(1-methylpyrazol-4-yl)methyl]-2-(2-propan-2-ylpyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 125190339
(2S,3aS,7aS)-2-pyrimidin-4-yl-6-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97369723
1-[(2S,3aR,7aR)-2-(2-methylpyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-2-(dimethylamino)ethanone
CID 124811056
1-[(2R,3aR,7aR)-2-(2-methylpyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-2-(dimethylamino)ethanone
CID 133142454
2-[(3-bromo-4-methylpiperidin-1-yl)methyl]pyridine
CID 102960286
(2R,3aS,7aR)-6-[(1-methylpyrazol-4-yl)methyl]-2-pyrimidin-4-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 134690539
1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630112
CID 59694740
CID 59694740
4-methyl-2-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 124999909
(2R,3aR,7aR)-6-[2-(dimethylamino)ethyl]-N-(2-pyridin-2-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124809776

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-N,N-dimethylpyrimidin-2-amine (CID 97369782) is 4-[(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-N,N-dimethylpyrimidin-2-amine is CN(C)c1nccc([C@@H]2C[C@@H]3CCN(Cc4ccccn4)C[C@H]3O2)n1.
What is the InChIKey of 4-[(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is GZYHDDLRWUCKHD-JCGIZDLHSA-N. The full InChI is InChI=1S/C19H25N5O/c1-23(2)19-21-9-6-16(22-19)17-11-14-7-10-24(13-18(14)25-17)12-15-5-3-4-8-20-15/h3-6,8-9,14,17-18H,7,10-13H2,1-2H3/t14-,17-,18+/m0/s1.
What are the key properties of 4-[(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-N,N-dimethylpyrimidin-2-amine?
4-[(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 339.44 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 97369782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).