N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine

C18H28N6O — CID 51105077

IUPACN-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
SMILESCOc1c(CNC2CCN(c3ncccn3)CC2)c(C(C)C)nn1C
InChIInChI=1S/C18H28N6O/c1-13(2)16-15(17(25-4)23(3)22-16)12-21-14-6-10-24(11-7-14)18-19-8-5-9-20-18/h5,8-9,13-14,21H,6-7,10-12H2,1-4H3
InChIKeyFLYRMNGMBRSKIV-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.10
Rot. Bonds6

About N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine

N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine (PubChem CID 51105077) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
PubChem CID51105077
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC NameN-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
SMILESCOc1c(CNC2CCN(c3ncccn3)CC2)c(C(C)C)nn1C
InChIInChI=1S/C18H28N6O/c1-13(2)16-15(17(25-4)23(3)22-16)12-21-14-6-10-24(11-7-14)18-19-8-5-9-20-18/h5,8-9,13-14,21H,6-7,10-12H2,1-4H3
InChIKeyFLYRMNGMBRSKIV-UHFFFAOYSA-N
XLogP2.10
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The IUPAC name of N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine (CID 51105077) is N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The canonical SMILES for N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine is COc1c(CNC2CCN(c3ncccn3)CC2)c(C(C)C)nn1C.
What is the InChIKey of N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The InChIKey is FLYRMNGMBRSKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-13(2)16-15(17(25-4)23(3)22-16)12-21-14-6-10-24(11-7-14)18-19-8-5-9-20-18/h5,8-9,13-14,21H,6-7,10-12H2,1-4H3.
What are the key properties of N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine?
N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine has a molecular weight of 344.46 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine is sourced from PubChem (CID 51105077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).