(4-aminopiperidin-1-yl)-[5-methoxy-6-(methylamino)pyrimidin-4-yl]methanone

C12H19N5O2 — CID 123714264

IUPAC(4-aminopiperidin-1-yl)-[5-methoxy-6-(methylamino)pyrimidin-4-yl]methanone
SMILESCNc1ncnc(C(=O)N2CCC(N)CC2)c1OC
InChIInChI=1S/C12H19N5O2/c1-14-11-10(19-2)9(15-7-16-11)12(18)17-5-3-8(13)4-6-17/h7-8H,3-6,13H2,1-2H3,(H,14,15,16)
InChIKeyLSODOPVEKSNTDZ-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.09
Rot. Bonds3

About (4-aminopiperidin-1-yl)-[5-methoxy-6-(methylamino)pyrimidin-4-yl]methanone

(4-aminopiperidin-1-yl)-[5-methoxy-6-(methylamino)pyrimidin-4-yl]methanone (PubChem CID 123714264) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[5-methoxy-6-(methylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[5-methoxy-6-(methylamino)pyrimidin-4-yl]methanone
PubChem CID123714264
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name(4-aminopiperidin-1-yl)-[5-methoxy-6-(methylamino)pyrimidin-4-yl]methanone
SMILESCNc1ncnc(C(=O)N2CCC(N)CC2)c1OC
InChIInChI=1S/C12H19N5O2/c1-14-11-10(19-2)9(15-7-16-11)12(18)17-5-3-8(13)4-6-17/h7-8H,3-6,13H2,1-2H3,(H,14,15,16)
InChIKeyLSODOPVEKSNTDZ-UHFFFAOYSA-N
XLogP0.09
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[5-methoxy-6-(methylamino)pyrimidin-4-yl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[5-methoxy-6-(methylamino)pyrimidin-4-yl]methanone (CID 123714264) is (4-aminopiperidin-1-yl)-[5-methoxy-6-(methylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[5-methoxy-6-(methylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[5-methoxy-6-(methylamino)pyrimidin-4-yl]methanone is CNc1ncnc(C(=O)N2CCC(N)CC2)c1OC.
What is the InChIKey of (4-aminopiperidin-1-yl)-[5-methoxy-6-(methylamino)pyrimidin-4-yl]methanone?
The InChIKey is LSODOPVEKSNTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-14-11-10(19-2)9(15-7-16-11)12(18)17-5-3-8(13)4-6-17/h7-8H,3-6,13H2,1-2H3,(H,14,15,16).
What are the key properties of (4-aminopiperidin-1-yl)-[5-methoxy-6-(methylamino)pyrimidin-4-yl]methanone?
(4-aminopiperidin-1-yl)-[5-methoxy-6-(methylamino)pyrimidin-4-yl]methanone has a molecular weight of 265.32 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[5-methoxy-6-(methylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 123714264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).