5-chloro-N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine

C15H20ClN5O — CID 155980999

IUPAC5-chloro-N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
SMILESCc1nc(CN2CCC(N(C)c3ncc(Cl)cn3)CC2)co1
InChIInChI=1S/C15H20ClN5O/c1-11-19-13(10-22-11)9-21-5-3-14(4-6-21)20(2)15-17-7-12(16)8-18-15/h7-8,10,14H,3-6,9H2,1-2H3
InChIKeyHGDSLCVVYNAUSO-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.53
Rot. Bonds4

About 5-chloro-N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine

5-chloro-N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine (PubChem CID 155980999) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
PubChem CID155980999
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC Name5-chloro-N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
SMILESCc1nc(CN2CCC(N(C)c3ncc(Cl)cn3)CC2)co1
InChIInChI=1S/C15H20ClN5O/c1-11-19-13(10-22-11)9-21-5-3-14(4-6-21)20(2)15-17-7-12(16)8-18-15/h7-8,10,14H,3-6,9H2,1-2H3
InChIKeyHGDSLCVVYNAUSO-UHFFFAOYSA-N
XLogP2.53
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine (CID 155980999) is 5-chloro-N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine is Cc1nc(CN2CCC(N(C)c3ncc(Cl)cn3)CC2)co1.
What is the InChIKey of 5-chloro-N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine?
The InChIKey is HGDSLCVVYNAUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O/c1-11-19-13(10-22-11)9-21-5-3-14(4-6-21)20(2)15-17-7-12(16)8-18-15/h7-8,10,14H,3-6,9H2,1-2H3.
What are the key properties of 5-chloro-N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine?
5-chloro-N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine has a molecular weight of 321.81 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 155980999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).