(5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride

C16H26Cl2N4O — CID 119644450

IUPAC(5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCCNCC1CCN(C(=O)c2nc(C(C)C)ncc2Cl)CC1.Cl
InChIInChI=1S/C16H25ClN4O.ClH/c1-4-18-9-12-5-7-21(8-6-12)16(22)14-13(17)10-19-15(20-14)11(2)3;/h10-12,18H,4-9H2,1-3H3;1H
InChIKeyOUBIYPKOCFCNBH-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.14
Rot. Bonds5

About (5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride

(5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119644450) has the molecular formula C16H26Cl2N4O and a molecular weight of 361.32 g/mol. Its IUPAC name is (5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID119644450
Molecular FormulaC16H26Cl2N4O
Molecular Weight361.32 g/mol
Exact Mass360.15
IUPAC Name(5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCCNCC1CCN(C(=O)c2nc(C(C)C)ncc2Cl)CC1.Cl
InChIInChI=1S/C16H25ClN4O.ClH/c1-4-18-9-12-5-7-21(8-6-12)16(22)14-13(17)10-19-15(20-14)11(2)3;/h10-12,18H,4-9H2,1-3H3;1H
InChIKeyOUBIYPKOCFCNBH-UHFFFAOYSA-N
XLogP3.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 55032845
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 56821641
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone
CID 62086699
1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-4-carbonitrile
CID 49061113
azocan-1-yl-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone
CID 62021698
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 62089029
[3-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone;hydrochloride
CID 119592986
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(1,4-oxazepan-4-yl)methanone
CID 62061026
1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxylic acid
CID 62087401
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 47459227
(2-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647973
1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxamide
CID 62088855

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride (CID 119644450) is (5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride is CCNCC1CCN(C(=O)c2nc(C(C)C)ncc2Cl)CC1.Cl.
What is the InChIKey of (5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is OUBIYPKOCFCNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4O.ClH/c1-4-18-9-12-5-7-21(8-6-12)16(22)14-13(17)10-19-15(20-14)11(2)3;/h10-12,18H,4-9H2,1-3H3;1H.
What are the key properties of (5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 361.32 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119644450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).