1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine

C23H30N6 — CID 72848013

IUPAC1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESCCCc1cc(N2CCC(NCc3cnn(-c4ccccc4)c3)CC2)nc(C)n1
InChIInChI=1S/C23H30N6/c1-3-7-21-14-23(27-18(2)26-21)28-12-10-20(11-13-28)24-15-19-16-25-29(17-19)22-8-5-4-6-9-22/h4-6,8-9,14,16-17,20,24H,3,7,10-13,15H2,1-2H3
InChIKeyFZZBVVFBUYCJIV-UHFFFAOYSA-N
MW390.54 g/mol
LogP3.68
Rot. Bonds7

About 1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine

1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine (PubChem CID 72848013) has the molecular formula C23H30N6 and a molecular weight of 390.54 g/mol. Its IUPAC name is 1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine
PubChem CID72848013
Molecular FormulaC23H30N6
Molecular Weight390.54 g/mol
Exact Mass390.25
IUPAC Name1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESCCCc1cc(N2CCC(NCc3cnn(-c4ccccc4)c3)CC2)nc(C)n1
InChIInChI=1S/C23H30N6/c1-3-7-21-14-23(27-18(2)26-21)28-12-10-20(11-13-28)24-15-19-16-25-29(17-19)22-8-5-4-6-9-22/h4-6,8-9,14,16-17,20,24H,3,7,10-13,15H2,1-2H3
InChIKeyFZZBVVFBUYCJIV-UHFFFAOYSA-N
XLogP3.68
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.54
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine (CID 72848013) is 1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine is CCCc1cc(N2CCC(NCc3cnn(-c4ccccc4)c3)CC2)nc(C)n1.
What is the InChIKey of 1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is FZZBVVFBUYCJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6/c1-3-7-21-14-23(27-18(2)26-21)28-12-10-20(11-13-28)24-15-19-16-25-29(17-19)22-8-5-4-6-9-22/h4-6,8-9,14,16-17,20,24H,3,7,10-13,15H2,1-2H3.
What are the key properties of 1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine?
1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 390.54 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 72848013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).