2-tert-butyl-5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride

C19H31ClN4O2 — CID 137030069

IUPAC2-tert-butyl-5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CCC(NCC2CC2)CC1.Cl
InChIInChI=1S/C19H30N4O2.ClH/c1-12-15(16(24)22-18(21-12)19(2,3)4)17(25)23-9-7-14(8-10-23)20-11-13-5-6-13;/h13-14,20H,5-11H2,1-4H3,(H,21,22,24);1H
InChIKeyORBGLUYFTGPSQU-UHFFFAOYSA-N
MW382.94 g/mol
LogP2.40
Rot. Bonds4

About 2-tert-butyl-5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride

2-tert-butyl-5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride (PubChem CID 137030069) has the molecular formula C19H31ClN4O2 and a molecular weight of 382.94 g/mol. Its IUPAC name is 2-tert-butyl-5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name2-tert-butyl-5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride
PubChem CID137030069
Molecular FormulaC19H31ClN4O2
Molecular Weight382.94 g/mol
Exact Mass382.21
IUPAC Name2-tert-butyl-5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CCC(NCC2CC2)CC1.Cl
InChIInChI=1S/C19H30N4O2.ClH/c1-12-15(16(24)22-18(21-12)19(2,3)4)17(25)23-9-7-14(8-10-23)20-11-13-5-6-13;/h13-14,20H,5-11H2,1-4H3,(H,21,22,24);1H
InChIKeyORBGLUYFTGPSQU-UHFFFAOYSA-N
XLogP2.40
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.94
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-methyl-5-[4-[2-(methylamino)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 137152242
2-tert-butyl-4-methyl-5-[(3S)-3-(methylsulfanylmethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
CID 136722513
2-tert-butyl-5-[(3S)-3-(ethoxymethyl)piperidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one
CID 136778283
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride
CID 119624589
N-(4-aminocyclohexyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
CID 137146558
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119625065
2-tert-butyl-5-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one
CID 137203475
N-(azetidin-3-ylmethyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 137132790
(2R)-4-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)morpholine-2-carboxylic acid
CID 137066024
2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 135881426
5-[(4aS,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carbonyl]-2-tert-butyl-4-methyl-1H-pyrimidin-6-one
CID 136886998
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 119625004

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 2-tert-butyl-5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride (CID 137030069) is 2-tert-butyl-5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 2-tert-butyl-5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 2-tert-butyl-5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride is Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CCC(NCC2CC2)CC1.Cl.
What is the InChIKey of 2-tert-butyl-5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is ORBGLUYFTGPSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2.ClH/c1-12-15(16(24)22-18(21-12)19(2,3)4)17(25)23-9-7-14(8-10-23)20-11-13-5-6-13;/h13-14,20H,5-11H2,1-4H3,(H,21,22,24);1H.
What are the key properties of 2-tert-butyl-5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride?
2-tert-butyl-5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 382.94 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 137030069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).