(2-amino-5-methylpyrimidin-4-yl)-piperidin-1-ylmethanone

C11H16N4O — CID 140974061

IUPAC(2-amino-5-methylpyrimidin-4-yl)-piperidin-1-ylmethanone
SMILESCc1cnc(N)nc1C(=O)N1CCCCC1
InChIInChI=1S/C11H16N4O/c1-8-7-13-11(12)14-9(8)10(16)15-5-3-2-4-6-15/h7H,2-6H2,1H3,(H2,12,13,14)
InChIKeyMCYFXQBYQUFTHR-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.99
Rot. Bonds1

About (2-amino-5-methylpyrimidin-4-yl)-piperidin-1-ylmethanone

(2-amino-5-methylpyrimidin-4-yl)-piperidin-1-ylmethanone (PubChem CID 140974061) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is (2-amino-5-methylpyrimidin-4-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2-amino-5-methylpyrimidin-4-yl)-piperidin-1-ylmethanone
PubChem CID140974061
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name(2-amino-5-methylpyrimidin-4-yl)-piperidin-1-ylmethanone
SMILESCc1cnc(N)nc1C(=O)N1CCCCC1
InChIInChI=1S/C11H16N4O/c1-8-7-13-11(12)14-9(8)10(16)15-5-3-2-4-6-15/h7H,2-6H2,1H3,(H2,12,13,14)
InChIKeyMCYFXQBYQUFTHR-UHFFFAOYSA-N
XLogP0.99
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methylpyrimidin-4-yl)-piperidin-1-ylmethanone?
The IUPAC name of (2-amino-5-methylpyrimidin-4-yl)-piperidin-1-ylmethanone (CID 140974061) is (2-amino-5-methylpyrimidin-4-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2-amino-5-methylpyrimidin-4-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (2-amino-5-methylpyrimidin-4-yl)-piperidin-1-ylmethanone is Cc1cnc(N)nc1C(=O)N1CCCCC1.
What is the InChIKey of (2-amino-5-methylpyrimidin-4-yl)-piperidin-1-ylmethanone?
The InChIKey is MCYFXQBYQUFTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-8-7-13-11(12)14-9(8)10(16)15-5-3-2-4-6-15/h7H,2-6H2,1H3,(H2,12,13,14).
What are the key properties of (2-amino-5-methylpyrimidin-4-yl)-piperidin-1-ylmethanone?
(2-amino-5-methylpyrimidin-4-yl)-piperidin-1-ylmethanone has a molecular weight of 220.28 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methylpyrimidin-4-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 140974061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).