3-[2-(methoxymethyl)-6-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine

C19H28N6O — CID 91768503

IUPAC3-[2-(methoxymethyl)-6-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
SMILESCOCc1nc(C2CC(N)C2)cc(N2CCC(c3[nH]ncc3C)CC2)n1
InChIInChI=1S/C19H28N6O/c1-12-10-21-24-19(12)13-3-5-25(6-4-13)18-9-16(14-7-15(20)8-14)22-17(23-18)11-26-2/h9-10,13-15H,3-8,11,20H2,1-2H3,(H,21,24)
InChIKeyMKSBHSIXNQAPJO-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.24
Rot. Bonds5

About 3-[2-(methoxymethyl)-6-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine

3-[2-(methoxymethyl)-6-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine (PubChem CID 91768503) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-[2-(methoxymethyl)-6-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[2-(methoxymethyl)-6-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
PubChem CID91768503
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name3-[2-(methoxymethyl)-6-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
SMILESCOCc1nc(C2CC(N)C2)cc(N2CCC(c3[nH]ncc3C)CC2)n1
InChIInChI=1S/C19H28N6O/c1-12-10-21-24-19(12)13-3-5-25(6-4-13)18-9-16(14-7-15(20)8-14)22-17(23-18)11-26-2/h9-10,13-15H,3-8,11,20H2,1-2H3,(H,21,24)
InChIKeyMKSBHSIXNQAPJO-UHFFFAOYSA-N
XLogP2.24
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(methoxymethyl)-6-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine?
The IUPAC name of 3-[2-(methoxymethyl)-6-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine (CID 91768503) is 3-[2-(methoxymethyl)-6-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[2-(methoxymethyl)-6-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[2-(methoxymethyl)-6-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine is COCc1nc(C2CC(N)C2)cc(N2CCC(c3[nH]ncc3C)CC2)n1.
What is the InChIKey of 3-[2-(methoxymethyl)-6-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine?
The InChIKey is MKSBHSIXNQAPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-12-10-21-24-19(12)13-3-5-25(6-4-13)18-9-16(14-7-15(20)8-14)22-17(23-18)11-26-2/h9-10,13-15H,3-8,11,20H2,1-2H3,(H,21,24).
What are the key properties of 3-[2-(methoxymethyl)-6-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine?
3-[2-(methoxymethyl)-6-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine has a molecular weight of 356.47 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methoxymethyl)-6-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine is sourced from PubChem (CID 91768503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).