3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide

C13H21ClN4O — CID 103823307

IUPAC3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
SMILESCCc1nc(Cl)c(C)c(NCC(C)(C)C(=O)NC)n1
InChIInChI=1S/C13H21ClN4O/c1-6-9-17-10(14)8(2)11(18-9)16-7-13(3,4)12(19)15-5/h6-7H2,1-5H3,(H,15,19)(H,16,17,18)
InChIKeyXRUGSJDOSNNDBF-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.18
Rot. Bonds5

About 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide

3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide (PubChem CID 103823307) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
PubChem CID103823307
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
SMILESCCc1nc(Cl)c(C)c(NCC(C)(C)C(=O)NC)n1
InChIInChI=1S/C13H21ClN4O/c1-6-9-17-10(14)8(2)11(18-9)16-7-13(3,4)12(19)15-5/h6-7H2,1-5H3,(H,15,19)(H,16,17,18)
InChIKeyXRUGSJDOSNNDBF-UHFFFAOYSA-N
XLogP2.18
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
CID 106280710
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106279614
3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N,2,2-trimethylpropanamide
CID 106279604
tert-butyl N-[2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]ethyl]carbamate
CID 115674145
3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide
CID 106280809
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 80970032
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107854317
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
CID 106280708
3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 79556195
6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine
CID 106900577
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 106341566

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide (CID 103823307) is 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide is CCc1nc(Cl)c(C)c(NCC(C)(C)C(=O)NC)n1.
What is the InChIKey of 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is XRUGSJDOSNNDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-6-9-17-10(14)8(2)11(18-9)16-7-13(3,4)12(19)15-5/h6-7H2,1-5H3,(H,15,19)(H,16,17,18).
What are the key properties of 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 284.79 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 103823307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).