N-ethyl-2-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide

C13H23N5O — CID 80805066

IUPACN-ethyl-2-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide
SMILESCCCNc1nccc(N(CC)CC(=O)NCC)n1
InChIInChI=1S/C13H23N5O/c1-4-8-15-13-16-9-7-11(17-13)18(6-3)10-12(19)14-5-2/h7,9H,4-6,8,10H2,1-3H3,(H,14,19)(H,15,16,17)
InChIKeyKCIIVXMXTCSMJH-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.26
Rot. Bonds8

About N-ethyl-2-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide

N-ethyl-2-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide (PubChem CID 80805066) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-ethyl-2-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide
PubChem CID80805066
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-ethyl-2-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide
SMILESCCCNc1nccc(N(CC)CC(=O)NCC)n1
InChIInChI=1S/C13H23N5O/c1-4-8-15-13-16-9-7-11(17-13)18(6-3)10-12(19)14-5-2/h7,9H,4-6,8,10H2,1-3H3,(H,14,19)(H,15,16,17)
InChIKeyKCIIVXMXTCSMJH-UHFFFAOYSA-N
XLogP1.26
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80799138
3-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 113469264
2-[butyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80821107
2-N,4-N,4-N-triethylpyrimidine-2,4-diamine
CID 80766535
2-[ethyl-(2-hydrazinylpyrimidin-4-yl)amino]-N-methylacetamide
CID 80896435
N-ethyl-2-[methyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]acetamide
CID 62465711
2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-methylamino]-N-ethylacetamide
CID 80805220
tert-butyl N-[[4-(diethylamino)pyrimidin-2-yl]amino]carbamate
CID 124908621
N-ethyl-2-[ethyl-[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80941432
2-N-[3-(dimethylamino)propyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112887794
2-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80779125
2-[(2-aminopyrimidin-4-yl)-methylamino]-N-ethylacetamide
CID 80805134

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide?
The IUPAC name of N-ethyl-2-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide (CID 80805066) is N-ethyl-2-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide is CCCNc1nccc(N(CC)CC(=O)NCC)n1.
What is the InChIKey of N-ethyl-2-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide?
The InChIKey is KCIIVXMXTCSMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-8-15-13-16-9-7-11(17-13)18(6-3)10-12(19)14-5-2/h7,9H,4-6,8,10H2,1-3H3,(H,14,19)(H,15,16,17).
What are the key properties of N-ethyl-2-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide?
N-ethyl-2-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide has a molecular weight of 265.36 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 80805066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).