(2-amino-6-methylpyrimidin-4-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone

C12H18N4O2 — CID 114220466

IUPAC(2-amino-6-methylpyrimidin-4-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(C)(O)C2)nc(N)n1
InChIInChI=1S/C12H18N4O2/c1-8-6-9(15-11(13)14-8)10(17)16-5-3-4-12(2,18)7-16/h6,18H,3-5,7H2,1-2H3,(H2,13,14,15)
InChIKeyBEYYWRKDODWLOE-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.35
Rot. Bonds1

About (2-amino-6-methylpyrimidin-4-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone

(2-amino-6-methylpyrimidin-4-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 114220466) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2-amino-6-methylpyrimidin-4-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-methylpyrimidin-4-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID114220466
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name(2-amino-6-methylpyrimidin-4-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(C)(O)C2)nc(N)n1
InChIInChI=1S/C12H18N4O2/c1-8-6-9(15-11(13)14-8)10(17)16-5-3-4-12(2,18)7-16/h6,18H,3-5,7H2,1-2H3,(H2,13,14,15)
InChIKeyBEYYWRKDODWLOE-UHFFFAOYSA-N
XLogP0.35
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methylpyrimidin-4-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-6-methylpyrimidin-4-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone (CID 114220466) is (2-amino-6-methylpyrimidin-4-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-6-methylpyrimidin-4-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-6-methylpyrimidin-4-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone is Cc1cc(C(=O)N2CCCC(C)(O)C2)nc(N)n1.
What is the InChIKey of (2-amino-6-methylpyrimidin-4-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is BEYYWRKDODWLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-6-9(15-11(13)14-8)10(17)16-5-3-4-12(2,18)7-16/h6,18H,3-5,7H2,1-2H3,(H2,13,14,15).
What are the key properties of (2-amino-6-methylpyrimidin-4-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
(2-amino-6-methylpyrimidin-4-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 250.30 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methylpyrimidin-4-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 114220466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).