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

C21H29N7O — CID 110129574

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-4-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyrimidin-2-amine
SMILESCc1noc(C)c1-c1cnc(N(C)C)nc1C1CCCN(Cc2ccn(C)n2)C1
InChIInChI=1S/C21H29N7O/c1-14-19(15(2)29-25-14)18-11-22-21(26(3)4)23-20(18)16-7-6-9-28(12-16)13-17-8-10-27(5)24-17/h8,10-11,16H,6-7,9,12-13H2,1-5H3
InChIKeyXJDYGICVASPXDH-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.93
Rot. Bonds5

About 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

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 (PubChem CID 110129574) has the molecular formula C21H29N7O and a molecular weight of 395.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-4-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyrimidin-2-amine
PubChem CID110129574
Molecular FormulaC21H29N7O
Molecular Weight395.51 g/mol
Exact Mass395.24
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-4-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyrimidin-2-amine
SMILESCc1noc(C)c1-c1cnc(N(C)C)nc1C1CCCN(Cc2ccn(C)n2)C1
InChIInChI=1S/C21H29N7O/c1-14-19(15(2)29-25-14)18-11-22-21(26(3)4)23-20(18)16-7-6-9-28(12-16)13-17-8-10-27(5)24-17/h8,10-11,16H,6-7,9,12-13H2,1-5H3
InChIKeyXJDYGICVASPXDH-UHFFFAOYSA-N
XLogP2.93
TPSA76.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
3,5-dimethyl-4-[[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 121184804
3,5-dimethyl-4-[6-[[(3R)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole
CID 125009384
3,5-dimethyl-4-[6-[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]-1,2-oxazole
CID 124960755
4-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-N,N-dimethyl-5-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 110266742
3-(chloromethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidine
CID 82870499
4-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-5-(4-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine
CID 127248675
4-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 95836596
5-(3-chlorophenyl)-N,N-dimethyl-4-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 92617455
3-chloro-4-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidine
CID 102960205
1-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carbaldehyde
CID 82870725

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1noc(C)c1-c1cnc(N(C)C)nc1C1CCCN(Cc2ccn(C)n2)C1.
What is the InChIKey of 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?
The InChIKey is XJDYGICVASPXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O/c1-14-19(15(2)29-25-14)18-11-22-21(26(3)4)23-20(18)16-7-6-9-28(12-16)13-17-8-10-27(5)24-17/h8,10-11,16H,6-7,9,12-13H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 395.51 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 8 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-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 110129574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).