4-methyl-6-[4-[(3-propyl-1,2-oxazol-5-yl)methylamino]piperidin-1-yl]pyrimidin-2-amine

C17H26N6O — CID 72937517

IUPAC4-methyl-6-[4-[(3-propyl-1,2-oxazol-5-yl)methylamino]piperidin-1-yl]pyrimidin-2-amine
SMILESCCCc1cc(CNC2CCN(c3cc(C)nc(N)n3)CC2)on1
InChIInChI=1S/C17H26N6O/c1-3-4-14-10-15(24-22-14)11-19-13-5-7-23(8-6-13)16-9-12(2)20-17(18)21-16/h9-10,13,19H,3-8,11H2,1-2H3,(H2,18,20,21)
InChIKeyZRRMAPCAQQQXLV-UHFFFAOYSA-N
MW330.44 g/mol
LogP2.07
Rot. Bonds6

About 4-methyl-6-[4-[(3-propyl-1,2-oxazol-5-yl)methylamino]piperidin-1-yl]pyrimidin-2-amine

4-methyl-6-[4-[(3-propyl-1,2-oxazol-5-yl)methylamino]piperidin-1-yl]pyrimidin-2-amine (PubChem CID 72937517) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 4-methyl-6-[4-[(3-propyl-1,2-oxazol-5-yl)methylamino]piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[4-[(3-propyl-1,2-oxazol-5-yl)methylamino]piperidin-1-yl]pyrimidin-2-amine
PubChem CID72937517
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name4-methyl-6-[4-[(3-propyl-1,2-oxazol-5-yl)methylamino]piperidin-1-yl]pyrimidin-2-amine
SMILESCCCc1cc(CNC2CCN(c3cc(C)nc(N)n3)CC2)on1
InChIInChI=1S/C17H26N6O/c1-3-4-14-10-15(24-22-14)11-19-13-5-7-23(8-6-13)16-9-12(2)20-17(18)21-16/h9-10,13,19H,3-8,11H2,1-2H3,(H2,18,20,21)
InChIKeyZRRMAPCAQQQXLV-UHFFFAOYSA-N
XLogP2.07
TPSA93.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[4-[(3-propyl-1,2-oxazol-5-yl)methylamino]piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[4-[(3-propyl-1,2-oxazol-5-yl)methylamino]piperidin-1-yl]pyrimidin-2-amine (CID 72937517) is 4-methyl-6-[4-[(3-propyl-1,2-oxazol-5-yl)methylamino]piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[4-[(3-propyl-1,2-oxazol-5-yl)methylamino]piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[4-[(3-propyl-1,2-oxazol-5-yl)methylamino]piperidin-1-yl]pyrimidin-2-amine is CCCc1cc(CNC2CCN(c3cc(C)nc(N)n3)CC2)on1.
What is the InChIKey of 4-methyl-6-[4-[(3-propyl-1,2-oxazol-5-yl)methylamino]piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is ZRRMAPCAQQQXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-3-4-14-10-15(24-22-14)11-19-13-5-7-23(8-6-13)16-9-12(2)20-17(18)21-16/h9-10,13,19H,3-8,11H2,1-2H3,(H2,18,20,21).
What are the key properties of 4-methyl-6-[4-[(3-propyl-1,2-oxazol-5-yl)methylamino]piperidin-1-yl]pyrimidin-2-amine?
4-methyl-6-[4-[(3-propyl-1,2-oxazol-5-yl)methylamino]piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 330.44 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[4-[(3-propyl-1,2-oxazol-5-yl)methylamino]piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 72937517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).