5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-4-[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrimidin-2-amine

C20H27N7O — CID 124961103

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-4-[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
SMILESCc1noc(C)c1-c1cnc(N(C)C)nc1[C@@H]1CCCN(Cc2ccn[nH]2)C1
InChIInChI=1S/C20H27N7O/c1-13-18(14(2)28-25-13)17-10-21-20(26(3)4)23-19(17)15-6-5-9-27(11-15)12-16-7-8-22-24-16/h7-8,10,15H,5-6,9,11-12H2,1-4H3,(H,22,24)/t15-/m1/s1
InChIKeyGZCLISRUKVKFRU-OAHLLOKOSA-N
MW381.48 g/mol
LogP2.92
Rot. Bonds5

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-4-[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrimidin-2-amine

5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-4-[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrimidin-2-amine (PubChem CID 124961103) has the molecular formula C20H27N7O and a molecular weight of 381.48 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-4-[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-4-[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
PubChem CID124961103
Molecular FormulaC20H27N7O
Molecular Weight381.48 g/mol
Exact Mass381.23
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-4-[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
SMILESCc1noc(C)c1-c1cnc(N(C)C)nc1[C@@H]1CCCN(Cc2ccn[nH]2)C1
InChIInChI=1S/C20H27N7O/c1-13-18(14(2)28-25-13)17-10-21-20(26(3)4)23-19(17)15-6-5-9-27(11-15)12-16-7-8-22-24-16/h7-8,10,15H,5-6,9,11-12H2,1-4H3,(H,22,24)/t15-/m1/s1
InChIKeyGZCLISRUKVKFRU-OAHLLOKOSA-N
XLogP2.92
TPSA86.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-4-[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrimidin-2-amine with MolForge

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Related Compounds

5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine
CID 124975974
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-4-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 110129574
4,5-dimethyl-N-[3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
CID 124969653
1-[(3R)-3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 92617358
N,N-dimethyl-5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidin-2-amine
CID 110096277
5-(3-fluorophenyl)-4-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine
CID 110266628
5-[[3-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine
CID 110217751
3-(4-phenyl-1H-pyrazol-5-yl)-1-(1H-pyrazol-5-ylmethyl)piperidine
CID 45248311
4-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 95836596
2-(2-methoxyphenoxy)-3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazine
CID 125003830
5-(3-chlorophenyl)-4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine
CID 110266595
4-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-N,N-dimethyl-5-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 110266742

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-4-[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-4-[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrimidin-2-amine (CID 124961103) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-4-[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-4-[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-4-[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrimidin-2-amine is Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@@H]1CCCN(Cc2ccn[nH]2)C1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-4-[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is GZCLISRUKVKFRU-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27N7O/c1-13-18(14(2)28-25-13)17-10-21-20(26(3)4)23-19(17)15-6-5-9-27(11-15)12-16-7-8-22-24-16/h7-8,10,15H,5-6,9,11-12H2,1-4H3,(H,22,24)/t15-/m1/s1.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-4-[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrimidin-2-amine?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-4-[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 381.48 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-4-[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 124961103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).