2-methyl-N-[(2-methyloxolan-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine

C16H26N4O — CID 110090085

IUPAC2-methyl-N-[(2-methyloxolan-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine
SMILESCc1nc(NCC2(C)CCCO2)cc(C2CCNCC2)n1
InChIInChI=1S/C16H26N4O/c1-12-19-14(13-4-7-17-8-5-13)10-15(20-12)18-11-16(2)6-3-9-21-16/h10,13,17H,3-9,11H2,1-2H3,(H,18,19,20)
InChIKeyFBXUAKNDSYEGRS-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.23
Rot. Bonds4

About 2-methyl-N-[(2-methyloxolan-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine

2-methyl-N-[(2-methyloxolan-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine (PubChem CID 110090085) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-methyl-N-[(2-methyloxolan-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-methyloxolan-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine
PubChem CID110090085
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-methyl-N-[(2-methyloxolan-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine
SMILESCc1nc(NCC2(C)CCCO2)cc(C2CCNCC2)n1
InChIInChI=1S/C16H26N4O/c1-12-19-14(13-4-7-17-8-5-13)10-15(20-12)18-11-16(2)6-3-9-21-16/h10,13,17H,3-9,11H2,1-2H3,(H,18,19,20)
InChIKeyFBXUAKNDSYEGRS-UHFFFAOYSA-N
XLogP2.23
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methyloxolan-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[(2-methyloxolan-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine (CID 110090085) is 2-methyl-N-[(2-methyloxolan-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[(2-methyloxolan-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[(2-methyloxolan-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine is Cc1nc(NCC2(C)CCCO2)cc(C2CCNCC2)n1.
What is the InChIKey of 2-methyl-N-[(2-methyloxolan-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine?
The InChIKey is FBXUAKNDSYEGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12-19-14(13-4-7-17-8-5-13)10-15(20-12)18-11-16(2)6-3-9-21-16/h10,13,17H,3-9,11H2,1-2H3,(H,18,19,20).
What are the key properties of 2-methyl-N-[(2-methyloxolan-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine?
2-methyl-N-[(2-methyloxolan-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine has a molecular weight of 290.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methyloxolan-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 110090085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).