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

C10H17N5O — CID 115978168

IUPAC2-[(4-aminopyrimidin-2-yl)amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNc1nccc(N)n1
InChIInChI=1S/C10H17N5O/c1-10(2,3)15-8(16)6-13-9-12-5-4-7(11)14-9/h4-5H,6H2,1-3H3,(H,15,16)(H3,11,12,13,14)
InChIKeySDICMOWRFHRHAR-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.39
Rot. Bonds3

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

2-[(4-aminopyrimidin-2-yl)amino]-N-tert-butylacetamide (PubChem CID 115978168) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[(4-aminopyrimidin-2-yl)amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[(4-aminopyrimidin-2-yl)amino]-N-tert-butylacetamide
PubChem CID115978168
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name2-[(4-aminopyrimidin-2-yl)amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNc1nccc(N)n1
InChIInChI=1S/C10H17N5O/c1-10(2,3)15-8(16)6-13-9-12-5-4-7(11)14-9/h4-5H,6H2,1-3H3,(H,15,16)(H3,11,12,13,14)
InChIKeySDICMOWRFHRHAR-UHFFFAOYSA-N
XLogP0.39
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[(4-ethoxypyrimidin-2-yl)amino]acetamide
CID 112638339
N-tert-butyl-2-[(2-hydrazinylpyrimidin-4-yl)amino]acetamide
CID 115357503
2-N-(2-bromoprop-2-enyl)pyrimidine-2,4-diamine
CID 116797364
3-[(4-aminopyrimidin-2-yl)amino]-2-methylpropane-1,2-diol
CID 116796093
ethyl 3-[(4-aminopyrimidin-2-yl)amino]propanoate
CID 116795749
2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 83695078
2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 116795439
2-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 116797252
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 113293311
2-[(5-amino-6-methyl-2-pyridinyl)amino]-N-tert-butylacetamide
CID 115356046
2-N-(2-methylsulfinylethyl)pyrimidine-2,4-diamine
CID 116797406
3-[(4-aminopyrimidin-2-yl)amino]-2,2-difluoropropan-1-ol
CID 106174497

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminopyrimidin-2-yl)amino]-N-tert-butylacetamide?
The IUPAC name of 2-[(4-aminopyrimidin-2-yl)amino]-N-tert-butylacetamide (CID 115978168) is 2-[(4-aminopyrimidin-2-yl)amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[(4-aminopyrimidin-2-yl)amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[(4-aminopyrimidin-2-yl)amino]-N-tert-butylacetamide is CC(C)(C)NC(=O)CNc1nccc(N)n1.
What is the InChIKey of 2-[(4-aminopyrimidin-2-yl)amino]-N-tert-butylacetamide?
The InChIKey is SDICMOWRFHRHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-10(2,3)15-8(16)6-13-9-12-5-4-7(11)14-9/h4-5H,6H2,1-3H3,(H,15,16)(H3,11,12,13,14).
What are the key properties of 2-[(4-aminopyrimidin-2-yl)amino]-N-tert-butylacetamide?
2-[(4-aminopyrimidin-2-yl)amino]-N-tert-butylacetamide has a molecular weight of 223.28 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminopyrimidin-2-yl)amino]-N-tert-butylacetamide is sourced from PubChem (CID 115978168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).