N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide

C15H26N4O2 — CID 118775654

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCC(C)c1ncc(C(=O)NCC(C)(C)CN(C)C)c(=O)[nH]1
InChIInChI=1S/C15H26N4O2/c1-10(2)12-16-7-11(14(21)18-12)13(20)17-8-15(3,4)9-19(5)6/h7,10H,8-9H2,1-6H3,(H,17,20)(H,16,18,21)
InChIKeyFZXNWHINLVAYJQ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.21
Rot. Bonds6

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide (PubChem CID 118775654) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
PubChem CID118775654
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCC(C)c1ncc(C(=O)NCC(C)(C)CN(C)C)c(=O)[nH]1
InChIInChI=1S/C15H26N4O2/c1-10(2)12-16-7-11(14(21)18-12)13(20)17-8-15(3,4)9-19(5)6/h7,10H,8-9H2,1-6H3,(H,17,20)(H,16,18,21)
InChIKeyFZXNWHINLVAYJQ-UHFFFAOYSA-N
XLogP1.21
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Tert-butyl-5-[(4-methyl-1,4-diazepan-1-yl)carbonyl]pyrimidin-4-ol
CID 70766587
N-[2-(4-Amino-6-hydroxypyrimidin-2-YL)ethyl]-2,2-dimethylpropanamide
CID 136664803
4-amino-5-(diethylaminomethyl)-2-methyl-1H-pyrimidin-6-one
CID 137297951
2-Tert-butyl-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 70787534
2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine
CID 66581406
2-[3-[(2-tert-butyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine
CID 89492717
1,2-Dimethyl-6-oxopyrimidine-5-carboxamide
CID 129935352
2-tert-butyl-N-ethyl-4-hydroxy-6-oxo-1H-pyrimidine-5-carboxamide
CID 136431930
N-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080908
1,2-Dimethyl-6-oxopyrimidine-5-carboxamide;ethane
CID 141822291
2-ethyl-4-(methylamino)-6-oxo-1H-pyrimidine-5-carboxamide
CID 142673329
2,2-dimethyl-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]propanamide
CID 157500872

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide (CID 118775654) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide is CC(C)c1ncc(C(=O)NCC(C)(C)CN(C)C)c(=O)[nH]1.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is FZXNWHINLVAYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-10(2)12-16-7-11(14(21)18-12)13(20)17-8-15(3,4)9-19(5)6/h7,10H,8-9H2,1-6H3,(H,17,20)(H,16,18,21).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 118775654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).