4-methoxy-6-[4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine

C20H31N7O — CID 155498675

IUPAC4-methoxy-6-[4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine
SMILESCOc1cc(N2CCC(C3CCN(Cc4cnn(C)c4)CC3)CC2)nc(N)n1
InChIInChI=1S/C20H31N7O/c1-25-13-15(12-22-25)14-26-7-3-16(4-8-26)17-5-9-27(10-6-17)18-11-19(28-2)24-20(21)23-18/h11-13,16-17H,3-10,14H2,1-2H3,(H2,21,23,24)
InChIKeyRHABPPGMPOMHJE-UHFFFAOYSA-N
MW385.52 g/mol
LogP1.93
Rot. Bonds5

About 4-methoxy-6-[4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine

4-methoxy-6-[4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine (PubChem CID 155498675) has the molecular formula C20H31N7O and a molecular weight of 385.52 g/mol. Its IUPAC name is 4-methoxy-6-[4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-[4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine
PubChem CID155498675
Molecular FormulaC20H31N7O
Molecular Weight385.52 g/mol
Exact Mass385.26
IUPAC Name4-methoxy-6-[4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine
SMILESCOc1cc(N2CCC(C3CCN(Cc4cnn(C)c4)CC3)CC2)nc(N)n1
InChIInChI=1S/C20H31N7O/c1-25-13-15(12-22-25)14-26-7-3-16(4-8-26)17-5-9-27(10-6-17)18-11-19(28-2)24-20(21)23-18/h11-13,16-17H,3-10,14H2,1-2H3,(H2,21,23,24)
InChIKeyRHABPPGMPOMHJE-UHFFFAOYSA-N
XLogP1.93
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-methoxy-6-[4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine with MolForge

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Related Compounds

4-methoxy-6-(4-piperidin-4-ylpiperidin-1-yl)pyrimidin-2-amine
CID 146044412
2-[4-(2-amino-6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanol
CID 113268082
4-bromo-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 80680049
2,4-dimethyl-6-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine
CID 95828152
5-[[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine
CID 50966673
1-[(1-methylpyrazol-4-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine
CID 45205063
4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidin-2-amine
CID 45250223
N'-hydroxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboximidamide
CID 77038911
2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanamine
CID 62127922
4-(1-ethylpyrazol-4-yl)oxy-6-methoxypyrimidin-2-amine
CID 114053313
4-[3-(dimethylamino)piperidin-1-yl]-6-methoxypyrimidin-2-amine
CID 45184702
(2R)-4-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 95847566

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-[4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine (CID 155498675) is 4-methoxy-6-[4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-[4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-[4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine is COc1cc(N2CCC(C3CCN(Cc4cnn(C)c4)CC3)CC2)nc(N)n1.
What is the InChIKey of 4-methoxy-6-[4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is RHABPPGMPOMHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N7O/c1-25-13-15(12-22-25)14-26-7-3-16(4-8-26)17-5-9-27(10-6-17)18-11-19(28-2)24-20(21)23-18/h11-13,16-17H,3-10,14H2,1-2H3,(H2,21,23,24).
What are the key properties of 4-methoxy-6-[4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine?
4-methoxy-6-[4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 385.52 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 155498675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).