(6R)-2,4-dimethyl-6-[(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine

C21H23N5O — CID 97273125

IUPAC(6R)-2,4-dimethyl-6-[(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine
SMILESCc1nc(C)c2c(n1)O[C@@H](CN1CCc3nc(-c4ccccc4)[nH]c3C1)C2
InChIInChI=1S/C21H23N5O/c1-13-17-10-16(27-21(17)23-14(2)22-13)11-26-9-8-18-19(12-26)25-20(24-18)15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyJVNAYIWTVNZGFY-MRXNPFEDSA-N
MW361.45 g/mol
LogP2.85
Rot. Bonds3

About (6R)-2,4-dimethyl-6-[(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine

(6R)-2,4-dimethyl-6-[(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine (PubChem CID 97273125) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is (6R)-2,4-dimethyl-6-[(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name(6R)-2,4-dimethyl-6-[(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine
PubChem CID97273125
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name(6R)-2,4-dimethyl-6-[(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine
SMILESCc1nc(C)c2c(n1)O[C@@H](CN1CCc3nc(-c4ccccc4)[nH]c3C1)C2
InChIInChI=1S/C21H23N5O/c1-13-17-10-16(27-21(17)23-14(2)22-13)11-26-9-8-18-19(12-26)25-20(24-18)15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyJVNAYIWTVNZGFY-MRXNPFEDSA-N
XLogP2.85
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6R)-2,4-dimethyl-6-[(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine with MolForge

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Related Compounds

2,4-dimethyl-6-[(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine
CID 56751024
6-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine
CID 56747042
(6S)-6-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine
CID 95214069
2-(3-methoxyphenyl)-5-[[(2S)-oxan-2-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 97444031
acetic acid;2,4-dimethyl-6-[(4-piperidin-4-ylpiperidin-1-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine
CID 163334632
[4-[(2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methanol
CID 91836749
5-(6-ethyl-2-methylpyrimidin-4-yl)-2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 72937037
(6R)-6-(bromomethyl)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine
CID 27376638
4-[5-(3-phenoxypropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
CID 91837733
1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butane-1,2-dione
CID 72843643
6-[(2-methyl-3-pyridinyl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947816
2-phenyl-5-pyridin-4-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 72936812

Frequently Asked Questions

What is the IUPAC name of (6R)-2,4-dimethyl-6-[(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine?
The IUPAC name of (6R)-2,4-dimethyl-6-[(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine (CID 97273125) is (6R)-2,4-dimethyl-6-[(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine.
What is the SMILES notation for (6R)-2,4-dimethyl-6-[(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine?
The canonical SMILES for (6R)-2,4-dimethyl-6-[(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine is Cc1nc(C)c2c(n1)O[C@@H](CN1CCc3nc(-c4ccccc4)[nH]c3C1)C2.
What is the InChIKey of (6R)-2,4-dimethyl-6-[(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine?
The InChIKey is JVNAYIWTVNZGFY-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23N5O/c1-13-17-10-16(27-21(17)23-14(2)22-13)11-26-9-8-18-19(12-26)25-20(24-18)15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3,(H,24,25)/t16-/m1/s1.
What are the key properties of (6R)-2,4-dimethyl-6-[(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine?
(6R)-2,4-dimethyl-6-[(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine has a molecular weight of 361.45 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2,4-dimethyl-6-[(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine is sourced from PubChem (CID 97273125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).