[3-(6-amino-2-methylpyrimidin-4-yl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone

C19H24N4O2 — CID 144740210

IUPAC[3-(6-amino-2-methylpyrimidin-4-yl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C)ccc1C(=O)N1CCCC(c2cc(N)nc(C)n2)C1
InChIInChI=1S/C19H24N4O2/c1-12-6-7-15(17(9-12)25-3)19(24)23-8-4-5-14(11-23)16-10-18(20)22-13(2)21-16/h6-7,9-10,14H,4-5,8,11H2,1-3H3,(H2,20,21,22)
InChIKeyTYCVDGNVEIFEJY-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.70
Rot. Bonds3

About [3-(6-amino-2-methylpyrimidin-4-yl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone

[3-(6-amino-2-methylpyrimidin-4-yl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone (PubChem CID 144740210) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [3-(6-amino-2-methylpyrimidin-4-yl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(6-amino-2-methylpyrimidin-4-yl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone
PubChem CID144740210
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[3-(6-amino-2-methylpyrimidin-4-yl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C)ccc1C(=O)N1CCCC(c2cc(N)nc(C)n2)C1
InChIInChI=1S/C19H24N4O2/c1-12-6-7-15(17(9-12)25-3)19(24)23-8-4-5-14(11-23)16-10-18(20)22-13(2)21-16/h6-7,9-10,14H,4-5,8,11H2,1-3H3,(H2,20,21,22)
InChIKeyTYCVDGNVEIFEJY-UHFFFAOYSA-N
XLogP2.70
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dimethoxyphenyl)-[3-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110092290
1,4-diazepan-1-yl-(2-methoxy-4-methylphenyl)methanone
CID 110833035
[3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 110252448
(2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 125019122
(2-methoxy-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone
CID 138473871
[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 17491736
(5-fluoro-2-methoxyphenyl)-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone
CID 125003943
(2S)-1-(2-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 110834780
(2-methoxy-3-pyridinyl)-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 124967355
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272
(4-chloro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493215
(2,3-dimethoxyphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 71926795

Frequently Asked Questions

What is the IUPAC name of [3-(6-amino-2-methylpyrimidin-4-yl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone?
The IUPAC name of [3-(6-amino-2-methylpyrimidin-4-yl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone (CID 144740210) is [3-(6-amino-2-methylpyrimidin-4-yl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone.
What is the SMILES notation for [3-(6-amino-2-methylpyrimidin-4-yl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone?
The canonical SMILES for [3-(6-amino-2-methylpyrimidin-4-yl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone is COc1cc(C)ccc1C(=O)N1CCCC(c2cc(N)nc(C)n2)C1.
What is the InChIKey of [3-(6-amino-2-methylpyrimidin-4-yl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone?
The InChIKey is TYCVDGNVEIFEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12-6-7-15(17(9-12)25-3)19(24)23-8-4-5-14(11-23)16-10-18(20)22-13(2)21-16/h6-7,9-10,14H,4-5,8,11H2,1-3H3,(H2,20,21,22).
What are the key properties of [3-(6-amino-2-methylpyrimidin-4-yl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone?
[3-(6-amino-2-methylpyrimidin-4-yl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone has a molecular weight of 340.43 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-amino-2-methylpyrimidin-4-yl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone is sourced from PubChem (CID 144740210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).