2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-N-tert-butylacetamide

C12H21N5O — CID 56702333

IUPAC2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNc1cc(CCN)ncn1
InChIInChI=1S/C12H21N5O/c1-12(2,3)17-11(18)7-14-10-6-9(4-5-13)15-8-16-10/h6,8H,4-5,7,13H2,1-3H3,(H,17,18)(H,14,15,16)
InChIKeyJIYIVONMMYURLP-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.30
Rot. Bonds5

About 2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-N-tert-butylacetamide

2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-N-tert-butylacetamide (PubChem CID 56702333) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-N-tert-butylacetamide
PubChem CID56702333
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNc1cc(CCN)ncn1
InChIInChI=1S/C12H21N5O/c1-12(2,3)17-11(18)7-14-10-6-9(4-5-13)15-8-16-10/h6,8H,4-5,7,13H2,1-3H3,(H,17,18)(H,14,15,16)
InChIKeyJIYIVONMMYURLP-UHFFFAOYSA-N
XLogP0.30
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-N-tert-butylacetamide?
The IUPAC name of 2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-N-tert-butylacetamide (CID 56702333) is 2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-N-tert-butylacetamide is CC(C)(C)NC(=O)CNc1cc(CCN)ncn1.
What is the InChIKey of 2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-N-tert-butylacetamide?
The InChIKey is JIYIVONMMYURLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-12(2,3)17-11(18)7-14-10-6-9(4-5-13)15-8-16-10/h6,8H,4-5,7,13H2,1-3H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-N-tert-butylacetamide?
2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-N-tert-butylacetamide has a molecular weight of 251.33 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-N-tert-butylacetamide is sourced from PubChem (CID 56702333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).