2-[(4-cyanopyrimidin-2-yl)-ethylamino]-N-propan-2-ylacetamide

C12H17N5O — CID 107544048

IUPAC2-[(4-cyanopyrimidin-2-yl)-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1nccc(C#N)n1
InChIInChI=1S/C12H17N5O/c1-4-17(8-11(18)15-9(2)3)12-14-6-5-10(7-13)16-12/h5-6,9H,4,8H2,1-3H3,(H,15,18)
InChIKeyMJTHPYVHCRNMOS-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.70
Rot. Bonds5

About 2-[(4-cyanopyrimidin-2-yl)-ethylamino]-N-propan-2-ylacetamide

2-[(4-cyanopyrimidin-2-yl)-ethylamino]-N-propan-2-ylacetamide (PubChem CID 107544048) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[(4-cyanopyrimidin-2-yl)-ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-cyanopyrimidin-2-yl)-ethylamino]-N-propan-2-ylacetamide
PubChem CID107544048
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-[(4-cyanopyrimidin-2-yl)-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1nccc(C#N)n1
InChIInChI=1S/C12H17N5O/c1-4-17(8-11(18)15-9(2)3)12-14-6-5-10(7-13)16-12/h5-6,9H,4,8H2,1-3H3,(H,15,18)
InChIKeyMJTHPYVHCRNMOS-UHFFFAOYSA-N
XLogP0.70
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetic acid
CID 107542879
2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetamide
CID 107545435
methyl 2-[(4-cyanopyrimidin-2-yl)-propylamino]acetate
CID 107544126
methyl 2-[(4-cyanopyrimidin-2-yl)-propan-2-ylamino]acetate
CID 107544124
2-[(4-cyanopyridazin-3-yl)-ethylamino]-N-propan-2-ylacetamide
CID 80510292
2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carbonitrile
CID 107544133
2-[ethyl(pyridin-2-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107544863
2-(4-cyano-N-ethyl-3-fluoroanilino)-N-propan-2-ylacetamide
CID 115367320
2-[bis(cyanomethyl)amino]pyrimidine-4-carbonitrile
CID 107543413
2-[(4-aminopyrimidin-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 115978164
2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbonitrile
CID 107544861
ethyl 2-[(4-cyanopyrimidin-2-yl)-methylamino]acetate
CID 107544034

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanopyrimidin-2-yl)-ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-cyanopyrimidin-2-yl)-ethylamino]-N-propan-2-ylacetamide (CID 107544048) is 2-[(4-cyanopyrimidin-2-yl)-ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-cyanopyrimidin-2-yl)-ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-cyanopyrimidin-2-yl)-ethylamino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)c1nccc(C#N)n1.
What is the InChIKey of 2-[(4-cyanopyrimidin-2-yl)-ethylamino]-N-propan-2-ylacetamide?
The InChIKey is MJTHPYVHCRNMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-4-17(8-11(18)15-9(2)3)12-14-6-5-10(7-13)16-12/h5-6,9H,4,8H2,1-3H3,(H,15,18).
What are the key properties of 2-[(4-cyanopyrimidin-2-yl)-ethylamino]-N-propan-2-ylacetamide?
2-[(4-cyanopyrimidin-2-yl)-ethylamino]-N-propan-2-ylacetamide has a molecular weight of 247.30 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanopyrimidin-2-yl)-ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 107544048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).