4-amino-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one

C18H29N5O2 — CID 70737105

IUPAC4-amino-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
SMILESCc1nc(C2CCCN(C(=O)CCCN)C2)cc(N2CCOCC2)n1
InChIInChI=1S/C18H29N5O2/c1-14-20-16(12-17(21-14)22-8-10-25-11-9-22)15-4-3-7-23(13-15)18(24)5-2-6-19/h12,15H,2-11,13,19H2,1H3
InChIKeyRYXSNTJWALRUAL-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.07
Rot. Bonds5

About 4-amino-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one

4-amino-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one (PubChem CID 70737105) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-amino-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
PubChem CID70737105
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name4-amino-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
SMILESCc1nc(C2CCCN(C(=O)CCCN)C2)cc(N2CCOCC2)n1
InChIInChI=1S/C18H29N5O2/c1-14-20-16(12-17(21-14)22-8-10-25-11-9-22)15-4-3-7-23(13-15)18(24)5-2-6-19/h12,15H,2-11,13,19H2,1H3
InChIKeyRYXSNTJWALRUAL-UHFFFAOYSA-N
XLogP1.07
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 4-amino-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one (CID 70737105) is 4-amino-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-amino-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-amino-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one is Cc1nc(C2CCCN(C(=O)CCCN)C2)cc(N2CCOCC2)n1.
What is the InChIKey of 4-amino-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one?
The InChIKey is RYXSNTJWALRUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-14-20-16(12-17(21-14)22-8-10-25-11-9-22)15-4-3-7-23(13-15)18(24)5-2-6-19/h12,15H,2-11,13,19H2,1H3.
What are the key properties of 4-amino-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one?
4-amino-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one has a molecular weight of 347.46 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 70737105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).