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

C13H23N5O — CID 80783919

IUPACN-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
SMILESCCCNc1ncnc(NCC(=O)NC)c1CCC
InChIInChI=1S/C13H23N5O/c1-4-6-10-12(15-7-5-2)17-9-18-13(10)16-8-11(19)14-3/h9H,4-8H2,1-3H3,(H,14,19)(H2,15,16,17,18)
InChIKeyTYQXRFQIYCDKED-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.41
Rot. Bonds8

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

N-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide (PubChem CID 80783919) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
PubChem CID80783919
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
SMILESCCCNc1ncnc(NCC(=O)NC)c1CCC
InChIInChI=1S/C13H23N5O/c1-4-6-10-12(15-7-5-2)17-9-18-13(10)16-8-11(19)14-3/h9H,4-8H2,1-3H3,(H,14,19)(H2,15,16,17,18)
InChIKeyTYQXRFQIYCDKED-UHFFFAOYSA-N
XLogP1.41
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80788303
2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea
CID 83117732
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-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylacetamide
CID 80993763
4-N-(3-methylsulfanylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80839154
N-butan-2-yl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propanamide
CID 80792142
4-N-cyclopentyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80770351
ethyl 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanoate
CID 80817030

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide?
The IUPAC name of N-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide (CID 80783919) is N-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for N-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for N-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide is CCCNc1ncnc(NCC(=O)NC)c1CCC.
What is the InChIKey of N-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide?
The InChIKey is TYQXRFQIYCDKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-6-10-12(15-7-5-2)17-9-18-13(10)16-8-11(19)14-3/h9H,4-8H2,1-3H3,(H,14,19)(H2,15,16,17,18).
What are the key properties of N-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide?
N-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide has a molecular weight of 265.36 g/mol, XLogP of 1.41, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 80783919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).