2-tert-butyl-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide

C17H28N4O2 — CID 137030868

IUPAC2-tert-butyl-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCC1(C)CCNCC1
InChIInChI=1S/C17H28N4O2/c1-11-12(14(23)21-15(20-11)16(2,3)4)13(22)19-10-17(5)6-8-18-9-7-17/h18H,6-10H2,1-5H3,(H,19,22)(H,20,21,23)
InChIKeyDXVDZYOTXCMJDW-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.50
Rot. Bonds3

About 2-tert-butyl-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide

2-tert-butyl-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 137030868) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID137030868
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-tert-butyl-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCC1(C)CCNCC1
InChIInChI=1S/C17H28N4O2/c1-11-12(14(23)21-15(20-11)16(2,3)4)13(22)19-10-17(5)6-8-18-9-7-17/h18H,6-10H2,1-5H3,(H,19,22)(H,20,21,23)
InChIKeyDXVDZYOTXCMJDW-UHFFFAOYSA-N
XLogP1.50
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azetidin-3-ylmethyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 137132790
N-(3-aminopropyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 137052613
2-tert-butyl-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136745088
2-tert-butyl-4-methyl-6-oxo-N-(2-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide;hydrochloride
CID 137095563
N-(3-amino-2,2-difluoropropyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
CID 137081389
2-tert-butyl-N-[[2-(hydroxymethyl)phenyl]methyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136926812
2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 135881426
2-tert-butyl-4-methyl-6-oxo-N-[(3S)-piperidin-3-yl]-1H-pyrimidine-5-carboxamide
CID 137127732
2-tert-butyl-N-[(1S,5S)-3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 155954991
N-[2-(aminomethyl)cyclopentyl]-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 137077502
2-tert-butyl-4-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 137016802
2-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136837256

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-tert-butyl-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 137030868) is 2-tert-butyl-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-tert-butyl-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide is Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCC1(C)CCNCC1.
What is the InChIKey of 2-tert-butyl-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is DXVDZYOTXCMJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-11-12(14(23)21-15(20-11)16(2,3)4)13(22)19-10-17(5)6-8-18-9-7-17/h18H,6-10H2,1-5H3,(H,19,22)(H,20,21,23).
What are the key properties of 2-tert-butyl-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-tert-butyl-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 137030868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).