N-tert-butyl-3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]propanamide

C12H19ClN4O2 — CID 112700846

IUPACN-tert-butyl-3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]propanamide
SMILESCOc1ncc(Cl)c(NCCC(=O)NC(C)(C)C)n1
InChIInChI=1S/C12H19ClN4O2/c1-12(2,3)17-9(18)5-6-14-10-8(13)7-15-11(16-10)19-4/h7H,5-6H2,1-4H3,(H,17,18)(H,14,15,16)
InChIKeyUOCYLKSIWAXBPG-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.86
Rot. Bonds5

About N-tert-butyl-3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]propanamide

N-tert-butyl-3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]propanamide (PubChem CID 112700846) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is N-tert-butyl-3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]propanamide
PubChem CID112700846
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC NameN-tert-butyl-3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]propanamide
SMILESCOc1ncc(Cl)c(NCCC(=O)NC(C)(C)C)n1
InChIInChI=1S/C12H19ClN4O2/c1-12(2,3)17-9(18)5-6-14-10-8(13)7-15-11(16-10)19-4/h7H,5-6H2,1-4H3,(H,17,18)(H,14,15,16)
InChIKeyUOCYLKSIWAXBPG-UHFFFAOYSA-N
XLogP1.86
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-amino-5-chloropyrimidin-4-yl)amino]-N-tert-butylpropanamide
CID 113411173
2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol
CID 80758347
methyl 6-[(5-chloro-2-methoxypyrimidin-4-yl)amino]hexanoate
CID 80753174
5-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-1-ol
CID 107302432
5-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80757838
5-chloro-2-methoxy-N-(4-methoxy-2,2-dimethylbutyl)pyrimidin-4-amine
CID 104624132
5-chloro-N-[3-(2-chloroethoxy)propyl]-2-methoxypyrimidin-4-amine
CID 106306445
1-[2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid
CID 80758877
3-[(2,5-dichloropyrimidin-4-yl)amino]-N-propylpropanamide
CID 79632812
5-chloro-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 103794340
1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2-(2-chlorophenyl)propan-2-ol
CID 133472194
5-chloro-2-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80758368

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]propanamide?
The IUPAC name of N-tert-butyl-3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]propanamide (CID 112700846) is N-tert-butyl-3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N-tert-butyl-3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]propanamide is COc1ncc(Cl)c(NCCC(=O)NC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]propanamide?
The InChIKey is UOCYLKSIWAXBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2/c1-12(2,3)17-9(18)5-6-14-10-8(13)7-15-11(16-10)19-4/h7H,5-6H2,1-4H3,(H,17,18)(H,14,15,16).
What are the key properties of N-tert-butyl-3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]propanamide?
N-tert-butyl-3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]propanamide has a molecular weight of 286.76 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 112700846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).