3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol

C17H29N5O — CID 50962024

IUPAC3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
SMILESCc1cnc(N2CC3(C)CN(C)CC(C)(C2)C3O)nc1N(C)C
InChIInChI=1S/C17H29N5O/c1-12-7-18-15(19-13(12)20(4)5)22-10-16(2)8-21(6)9-17(3,11-22)14(16)23/h7,14,23H,8-11H2,1-6H3
InChIKeyDIBPQEFVJDEYMN-UHFFFAOYSA-N
MW319.45 g/mol
LogP0.99
Rot. Bonds2

About 3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol

3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol (PubChem CID 50962024) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
PubChem CID50962024
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
SMILESCc1cnc(N2CC3(C)CN(C)CC(C)(C2)C3O)nc1N(C)C
InChIInChI=1S/C17H29N5O/c1-12-7-18-15(19-13(12)20(4)5)22-10-16(2)8-21(6)9-17(3,11-22)14(16)23/h7,14,23H,8-11H2,1-6H3
InChIKeyDIBPQEFVJDEYMN-UHFFFAOYSA-N
XLogP0.99
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol with MolForge

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Related Compounds

1-[4-(Dimethylamino)-5-methyl-2-pyrimidinyl]-4-piperidinol
CID 39830890
rel-(5S,6S)-8-(4-amino-5-fluoro-2-pyrimidinyl)-2-methyl-2,8-diazaspiro[5.5]undecan-5-ol
CID 163309942
9-[4-(Dimethylamino)-5-fluoro-2-pyrimidinyl]-2-methyl-2,9-diazaspiro[5.5]undecan-4-ol
CID 172423524
1-{1-[4-(Dimethylamino)-5-methylpyrimidin-2-YL]piperidin-4-YL}propan-1-OL
CID 50964992
1-(5-Ethylpyrimidin-2-yl)piperidin-4-ol
CID 57708399
1-(5-Methylpyrimidin-2-yl)piperidin-4-ol
CID 58057753
1-(5-Tert-butylpyrimidin-2-yl)piperidin-4-ol
CID 58333102
1-(2-Chloro-5-methyl-4-pyrimidinyl)-4-piperidinol
CID 59300461
1-[1-(5-Methylpyrimidin-2-yl)piperidin-4-yl]ethanol
CID 103858117
1-[1-(2-Chloro-5-ethylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-ol
CID 123375262
1-[[[2-(Butylamino)-5-ethylpyrimidin-4-yl]amino]methylidene]piperidin-1-ium-4-ol
CID 123582961
1-(2,5-Dimethylpyrimidin-4-yl)piperidin-4-ol
CID 135154083

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol?
The IUPAC name of 3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol (CID 50962024) is 3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for 3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for 3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol is Cc1cnc(N2CC3(C)CN(C)CC(C)(C2)C3O)nc1N(C)C.
What is the InChIKey of 3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol?
The InChIKey is DIBPQEFVJDEYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-12-7-18-15(19-13(12)20(4)5)22-10-16(2)8-21(6)9-17(3,11-22)14(16)23/h7,14,23H,8-11H2,1-6H3.
What are the key properties of 3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol?
3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol has a molecular weight of 319.45 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 50962024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).