N-cyclopropyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine

C19H28N6O — CID 171326432

IUPACN-cyclopropyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(N(C2CC2)C2CCN(Cc3cc(C)n(C)n3)CC2)ncn1
InChIInChI=1S/C19H28N6O/c1-14-10-15(22-23(14)2)12-24-8-6-17(7-9-24)25(16-4-5-16)18-11-19(26-3)21-13-20-18/h10-11,13,16-17H,4-9,12H2,1-3H3
InChIKeyWYRRLFNMYKEVMS-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.16
Rot. Bonds6

About N-cyclopropyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine

N-cyclopropyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine (PubChem CID 171326432) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
PubChem CID171326432
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC NameN-cyclopropyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(N(C2CC2)C2CCN(Cc3cc(C)n(C)n3)CC2)ncn1
InChIInChI=1S/C19H28N6O/c1-14-10-15(22-23(14)2)12-24-8-6-17(7-9-24)25(16-4-5-16)18-11-19(26-3)21-13-20-18/h10-11,13,16-17H,4-9,12H2,1-3H3
InChIKeyWYRRLFNMYKEVMS-UHFFFAOYSA-N
XLogP2.16
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine (CID 171326432) is N-cyclopropyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine is COc1cc(N(C2CC2)C2CCN(Cc3cc(C)n(C)n3)CC2)ncn1.
What is the InChIKey of N-cyclopropyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine?
The InChIKey is WYRRLFNMYKEVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-14-10-15(22-23(14)2)12-24-8-6-17(7-9-24)25(16-4-5-16)18-11-19(26-3)21-13-20-18/h10-11,13,16-17H,4-9,12H2,1-3H3.
What are the key properties of N-cyclopropyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine?
N-cyclopropyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine has a molecular weight of 356.47 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 171326432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).