5-chloro-6-methyl-2-(3-piperidin-3-ylazetidin-1-yl)pyrimidin-4-amine;1-methylcyclobutane-1-carboxylic acid

C19H30ClN5O2 — CID 164863424

IUPAC5-chloro-6-methyl-2-(3-piperidin-3-ylazetidin-1-yl)pyrimidin-4-amine;1-methylcyclobutane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC1.Cc1nc(N2CC(C3CCCNC3)C2)nc(N)c1Cl
InChIInChI=1S/C13H20ClN5.C6H10O2/c1-8-11(14)12(15)18-13(17-8)19-6-10(7-19)9-3-2-4-16-5-9;1-6(5(7)8)3-2-4-6/h9-10,16H,2-7H2,1H3,(H2,15,17,18);2-4H2,1H3,(H,7,8)
InChIKeyRGTLALFOZXXYIK-UHFFFAOYSA-N
MW395.94 g/mol
LogP2.72
Rot. Bonds3

About 5-chloro-6-methyl-2-(3-piperidin-3-ylazetidin-1-yl)pyrimidin-4-amine;1-methylcyclobutane-1-carboxylic acid

5-chloro-6-methyl-2-(3-piperidin-3-ylazetidin-1-yl)pyrimidin-4-amine;1-methylcyclobutane-1-carboxylic acid (PubChem CID 164863424) has the molecular formula C19H30ClN5O2 and a molecular weight of 395.94 g/mol. Its IUPAC name is 5-chloro-6-methyl-2-(3-piperidin-3-ylazetidin-1-yl)pyrimidin-4-amine;1-methylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-methyl-2-(3-piperidin-3-ylazetidin-1-yl)pyrimidin-4-amine;1-methylcyclobutane-1-carboxylic acid
PubChem CID164863424
Molecular FormulaC19H30ClN5O2
Molecular Weight395.94 g/mol
Exact Mass395.21
IUPAC Name5-chloro-6-methyl-2-(3-piperidin-3-ylazetidin-1-yl)pyrimidin-4-amine;1-methylcyclobutane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC1.Cc1nc(N2CC(C3CCCNC3)C2)nc(N)c1Cl
InChIInChI=1S/C13H20ClN5.C6H10O2/c1-8-11(14)12(15)18-13(17-8)19-6-10(7-19)9-3-2-4-16-5-9;1-6(5(7)8)3-2-4-6/h9-10,16H,2-7H2,1H3,(H2,15,17,18);2-4H2,1H3,(H,7,8)
InChIKeyRGTLALFOZXXYIK-UHFFFAOYSA-N
XLogP2.72
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.94
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3R)-3-[1-(4-amino-5-chloro-6-methylpyrimidin-2-yl)azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid
CID 164838650
3-[(3S)-piperidin-3-yl]azetidine-1-carboxylic acid
CID 134211094
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-6-methyl-2-[4-[(3R)-piperidin-3-yl]piperidin-1-yl]pyrimidin-4-amine
CID 170166724
3-[(3R)-3-[1-[4-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5,6-dimethylpyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid
CID 157407028
1-methyl-4-piperidin-3-ylcyclohexan-1-ol
CID 84733509
3-[3-[1-[4-[(2,4-dichlorophenyl)methylamino]-5,6-dimethylpyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid
CID 139363122
5-(5-chloro-4-methylpyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 141304217
1-[4-(4-amino-8-fluoro-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-[(3S)-piperidin-3-yl]ethanone
CID 118046391
1-methyl-N-[(3R)-piperidin-3-yl]cyclopentane-1-carboxamide
CID 104645453
3-[(3R)-3-[1-[5-chloro-4-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-6-(methylamino)pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid
CID 175076140
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-methylpyrimidine-5-carboxylic acid
CID 83181663
1-methyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 166176322

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-2-(3-piperidin-3-ylazetidin-1-yl)pyrimidin-4-amine;1-methylcyclobutane-1-carboxylic acid?
The IUPAC name of 5-chloro-6-methyl-2-(3-piperidin-3-ylazetidin-1-yl)pyrimidin-4-amine;1-methylcyclobutane-1-carboxylic acid (CID 164863424) is 5-chloro-6-methyl-2-(3-piperidin-3-ylazetidin-1-yl)pyrimidin-4-amine;1-methylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 5-chloro-6-methyl-2-(3-piperidin-3-ylazetidin-1-yl)pyrimidin-4-amine;1-methylcyclobutane-1-carboxylic acid?
The canonical SMILES for 5-chloro-6-methyl-2-(3-piperidin-3-ylazetidin-1-yl)pyrimidin-4-amine;1-methylcyclobutane-1-carboxylic acid is CC1(C(=O)O)CCC1.Cc1nc(N2CC(C3CCCNC3)C2)nc(N)c1Cl.
What is the InChIKey of 5-chloro-6-methyl-2-(3-piperidin-3-ylazetidin-1-yl)pyrimidin-4-amine;1-methylcyclobutane-1-carboxylic acid?
The InChIKey is RGTLALFOZXXYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5.C6H10O2/c1-8-11(14)12(15)18-13(17-8)19-6-10(7-19)9-3-2-4-16-5-9;1-6(5(7)8)3-2-4-6/h9-10,16H,2-7H2,1H3,(H2,15,17,18);2-4H2,1H3,(H,7,8).
What are the key properties of 5-chloro-6-methyl-2-(3-piperidin-3-ylazetidin-1-yl)pyrimidin-4-amine;1-methylcyclobutane-1-carboxylic acid?
5-chloro-6-methyl-2-(3-piperidin-3-ylazetidin-1-yl)pyrimidin-4-amine;1-methylcyclobutane-1-carboxylic acid has a molecular weight of 395.94 g/mol, XLogP of 2.72, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-2-(3-piperidin-3-ylazetidin-1-yl)pyrimidin-4-amine;1-methylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 164863424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).