N-ethyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide

C14H25N5O — CID 80788303

IUPACN-ethyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
SMILESCCCNc1ncnc(NCC(=O)NCC)c1CCC
InChIInChI=1S/C14H25N5O/c1-4-7-11-13(16-8-5-2)18-10-19-14(11)17-9-12(20)15-6-3/h10H,4-9H2,1-3H3,(H,15,20)(H2,16,17,18,19)
InChIKeyYHSKISQYZRNQOP-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.80
Rot. Bonds9

About N-ethyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide

N-ethyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide (PubChem CID 80788303) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-ethyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
PubChem CID80788303
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-ethyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
SMILESCCCNc1ncnc(NCC(=O)NCC)c1CCC
InChIInChI=1S/C14H25N5O/c1-4-7-11-13(16-8-5-2)18-10-19-14(11)17-9-12(20)15-6-3/h10H,4-9H2,1-3H3,(H,15,20)(H2,16,17,18,19)
InChIKeyYHSKISQYZRNQOP-UHFFFAOYSA-N
XLogP1.80
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80783919
2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea
CID 83117732
N-ethyl-2-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetamide
CID 80787425
N-tert-butyl-2-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]acetamide
CID 115357399
methyl 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80802366
4-N-(2-methylsulfanylethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80839637
2-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80779958
(2S)-3-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80848746
2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-propylacetamide
CID 63023413
4-N-(3-methylsulfanylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80839154
N-propyl-2-(quinazolin-4-ylamino)acetamide
CID 39165546
2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide
CID 133407832

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide?
The IUPAC name of N-ethyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide (CID 80788303) is N-ethyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide is CCCNc1ncnc(NCC(=O)NCC)c1CCC.
What is the InChIKey of N-ethyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide?
The InChIKey is YHSKISQYZRNQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-7-11-13(16-8-5-2)18-10-19-14(11)17-9-12(20)15-6-3/h10H,4-9H2,1-3H3,(H,15,20)(H2,16,17,18,19).
What are the key properties of N-ethyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide?
N-ethyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide has a molecular weight of 279.39 g/mol, XLogP of 1.80, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 80788303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).