2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylacetamide

C13H21N5O — CID 80966811

IUPAC2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1cc(NCC)nc(C2CC2)n1
InChIInChI=1S/C13H21N5O/c1-3-14-10-7-11(16-8-12(19)15-4-2)18-13(17-10)9-5-6-9/h7,9H,3-6,8H2,1-2H3,(H,15,19)(H2,14,16,17,18)
InChIKeyZBVWPKQBKCRGKD-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.33
Rot. Bonds7

About 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylacetamide

2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylacetamide (PubChem CID 80966811) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylacetamide
PubChem CID80966811
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1cc(NCC)nc(C2CC2)n1
InChIInChI=1S/C13H21N5O/c1-3-14-10-7-11(16-8-12(19)15-4-2)18-13(17-10)9-5-6-9/h7,9H,3-6,8H2,1-2H3,(H,15,19)(H2,14,16,17,18)
InChIKeyZBVWPKQBKCRGKD-UHFFFAOYSA-N
XLogP1.33
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80967066
3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 80959054
N-ethyl-2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]acetamide
CID 80907084
2-cyclopropyl-6-N-ethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80955815
4-N-(cyclobutylmethyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80968066
4-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138643
3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80960076
N-ethyl-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80954429
N-tert-butyl-2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]acetamide
CID 113293276
N-cyclopropyl-2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80955065
1-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296296
methyl 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]acetate
CID 80969747

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylacetamide?
The IUPAC name of 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylacetamide (CID 80966811) is 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylacetamide.
What is the SMILES notation for 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylacetamide?
The canonical SMILES for 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylacetamide is CCNC(=O)CNc1cc(NCC)nc(C2CC2)n1.
What is the InChIKey of 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylacetamide?
The InChIKey is ZBVWPKQBKCRGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-3-14-10-7-11(16-8-12(19)15-4-2)18-13(17-10)9-5-6-9/h7,9H,3-6,8H2,1-2H3,(H,15,19)(H2,14,16,17,18).
What are the key properties of 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylacetamide?
2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylacetamide has a molecular weight of 263.34 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylacetamide is sourced from PubChem (CID 80966811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).