[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone

C19H23ClN4O — CID 109309740

IUPAC[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccnc(NCCc3ccc(Cl)cc3)n2)C1
InChIInChI=1S/C19H23ClN4O/c1-14-3-2-12-24(13-14)18(25)17-9-11-22-19(23-17)21-10-8-15-4-6-16(20)7-5-15/h4-7,9,11,14H,2-3,8,10,12-13H2,1H3,(H,21,22,23)
InChIKeyGWNHMWQJZQBTDD-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.66
Rot. Bonds5

About [2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone

[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109309740) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is [2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109309740
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccnc(NCCc3ccc(Cl)cc3)n2)C1
InChIInChI=1S/C19H23ClN4O/c1-14-3-2-12-24(13-14)18(25)17-9-11-22-19(23-17)21-10-8-15-4-6-16(20)7-5-15/h4-7,9,11,14H,2-3,8,10,12-13H2,1H3,(H,21,22,23)
InChIKeyGWNHMWQJZQBTDD-UHFFFAOYSA-N
XLogP3.66
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylpiperidin-1-yl)-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109295994
[2-(cycloheptylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109311434
[2-(3-chloro-4-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109312797
[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109214584
[2-(3,4-dichloroanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109312853
[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109192409
4-[2-[[4-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 109297701
[2-(3-chloro-2-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109312794
[2-[2-(4-chlorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321773
[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109309749
[2-(3,4-dimethylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109312774
N-[4-[[4-(3-methylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 109312821

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone (CID 109309740) is [2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2ccnc(NCCc3ccc(Cl)cc3)n2)C1.
What is the InChIKey of [2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is GWNHMWQJZQBTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-14-3-2-12-24(13-14)18(25)17-9-11-22-19(23-17)21-10-8-15-4-6-16(20)7-5-15/h4-7,9,11,14H,2-3,8,10,12-13H2,1H3,(H,21,22,23).
What are the key properties of [2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 358.87 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109309740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).