8-[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol

C22H28N4O2 — CID 3228666

IUPAC8-[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCOc1ccccc1C1(O)CC2CCC(C1)N2c1nc(C)cc(NC2CC2)n1
InChIInChI=1S/C22H28N4O2/c1-14-11-20(24-15-7-8-15)25-21(23-14)26-16-9-10-17(26)13-22(27,12-16)18-5-3-4-6-19(18)28-2/h3-6,11,15-17,27H,7-10,12-13H2,1-2H3,(H,23,24,25)
InChIKeySPLLMWGJILQULK-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.39
Rot. Bonds5

About 8-[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol

8-[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 3228666) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 8-[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID3228666
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name8-[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCOc1ccccc1C1(O)CC2CCC(C1)N2c1nc(C)cc(NC2CC2)n1
InChIInChI=1S/C22H28N4O2/c1-14-11-20(24-15-7-8-15)25-21(23-14)26-16-9-10-17(26)13-22(27,12-16)18-5-3-4-6-19(18)28-2/h3-6,11,15-17,27H,7-10,12-13H2,1-2H3,(H,23,24,25)
InChIKeySPLLMWGJILQULK-UHFFFAOYSA-N
XLogP3.39
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

(1R,5S)-8-[4-(diethylamino)-6-methylpyrimidin-2-yl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 11904227
(1S,5S)-8-(6-chloro-2-methylsulfanyl-5-phenylpyrimidin-4-yl)-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 98113243
(1R,5R)-8-(6-chloro-2-methylsulfanyl-5-phenylpyrimidin-4-yl)-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 98113244
1-cyclopropyl-3-(2-methoxyphenyl)-5-methylpyrrolidin-3-ol
CID 113491781
(1R,5R)-3-(2-methoxyphenyl)-8-[(2-prop-2-ynoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 98137387
4-[[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 166329636
3-hydroxy-3-(2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 80502483
(1S,5R)-3-(4-fluorophenyl)-8-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 11904224
8-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 46966276
4-N-cyclopropyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 83718542
N-[(2-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112910881
2-N-cyclohexyl-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112910525

Frequently Asked Questions

What is the IUPAC name of 8-[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 3228666) is 8-[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol is COc1ccccc1C1(O)CC2CCC(C1)N2c1nc(C)cc(NC2CC2)n1.
What is the InChIKey of 8-[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is SPLLMWGJILQULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-14-11-20(24-15-7-8-15)25-21(23-14)26-16-9-10-17(26)13-22(27,12-16)18-5-3-4-6-19(18)28-2/h3-6,11,15-17,27H,7-10,12-13H2,1-2H3,(H,23,24,25).
What are the key properties of 8-[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 380.49 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 3228666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).