2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-tert-butylacetamide

C10H16FN5O — CID 113293343

IUPAC2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNc1nc(N)ncc1F
InChIInChI=1S/C10H16FN5O/c1-10(2,3)16-7(17)5-13-8-6(11)4-14-9(12)15-8/h4H,5H2,1-3H3,(H,16,17)(H3,12,13,14,15)
InChIKeySPSYYSARLUSEBR-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.52
Rot. Bonds3

About 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-tert-butylacetamide

2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-tert-butylacetamide (PubChem CID 113293343) has the molecular formula C10H16FN5O and a molecular weight of 241.27 g/mol. Its IUPAC name is 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-tert-butylacetamide
PubChem CID113293343
Molecular FormulaC10H16FN5O
Molecular Weight241.27 g/mol
Exact Mass241.13
IUPAC Name2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNc1nc(N)ncc1F
InChIInChI=1S/C10H16FN5O/c1-10(2,3)16-7(17)5-13-8-6(11)4-14-9(12)15-8/h4H,5H2,1-3H3,(H,16,17)(H3,12,13,14,15)
InChIKeySPSYYSARLUSEBR-UHFFFAOYSA-N
XLogP0.52
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-tert-butylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-[(3,5,6-trifluoro-2-pyridinyl)amino]acetamide
CID 114072648
4-N-(2,2-difluoroethyl)-5-fluoropyrimidine-2,4-diamine
CID 115409525
3-[(2-amino-5-chloropyrimidin-4-yl)amino]-N-tert-butylpropanamide
CID 113411173
2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-tert-butylacetamide
CID 113293132
1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106296405
5-fluoro-4-N-[(2,4,6-trifluorophenyl)methyl]pyrimidine-2,4-diamine
CID 141388727
N-tert-butyl-2-[(2-chloro-5-methylpyrimidin-4-yl)amino]acetamide
CID 115356881
2-[(2-amino-5-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 80793027
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide
CID 80787091
5-fluoro-4-N-(2-methylbutyl)pyrimidine-2,4-diamine
CID 80832532
1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-4-methylpentan-2-ol
CID 107159768
2-[(2-amino-5-methylpyrimidin-4-yl)amino]acetamide
CID 80770293

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-tert-butylacetamide?
The IUPAC name of 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-tert-butylacetamide (CID 113293343) is 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-tert-butylacetamide is CC(C)(C)NC(=O)CNc1nc(N)ncc1F.
What is the InChIKey of 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-tert-butylacetamide?
The InChIKey is SPSYYSARLUSEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN5O/c1-10(2,3)16-7(17)5-13-8-6(11)4-14-9(12)15-8/h4H,5H2,1-3H3,(H,16,17)(H3,12,13,14,15).
What are the key properties of 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-tert-butylacetamide?
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-tert-butylacetamide has a molecular weight of 241.27 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-tert-butylacetamide is sourced from PubChem (CID 113293343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).