N-ethyl-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetamide

C12H21N5O — CID 80954429

IUPACN-ethyl-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetamide
SMILESCCCc1nc(NC)cc(NCC(=O)NCC)n1
InChIInChI=1S/C12H21N5O/c1-4-6-9-16-10(13-3)7-11(17-9)15-8-12(18)14-5-2/h7H,4-6,8H2,1-3H3,(H,14,18)(H2,13,15,16,17)
InChIKeyXGHXPTREYVHLRD-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.02
Rot. Bonds7

About N-ethyl-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetamide

N-ethyl-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetamide (PubChem CID 80954429) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-ethyl-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetamide
PubChem CID80954429
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-ethyl-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetamide
SMILESCCCc1nc(NC)cc(NCC(=O)NCC)n1
InChIInChI=1S/C12H21N5O/c1-4-6-9-16-10(13-3)7-11(17-9)15-8-12(18)14-5-2/h7H,4-6,8H2,1-3H3,(H,14,18)(H2,13,15,16,17)
InChIKeyXGHXPTREYVHLRD-UHFFFAOYSA-N
XLogP1.02
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80955339
N-propyl-2-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80942500
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylacetamide
CID 80955338
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
N-ethyl-2-[[6-(methylamino)pyrazin-2-yl]amino]acetamide
CID 80787936
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80945317
N-cyclopropyl-2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80955065
N-ethyl-2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]acetamide
CID 80907084
6-N-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80946119
2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol
CID 80950100
2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylacetamide
CID 80966811

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetamide?
The IUPAC name of N-ethyl-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetamide (CID 80954429) is N-ethyl-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetamide is CCCc1nc(NC)cc(NCC(=O)NCC)n1.
What is the InChIKey of N-ethyl-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetamide?
The InChIKey is XGHXPTREYVHLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-4-6-9-16-10(13-3)7-11(17-9)15-8-12(18)14-5-2/h7H,4-6,8H2,1-3H3,(H,14,18)(H2,13,15,16,17).
What are the key properties of N-ethyl-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetamide?
N-ethyl-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 80954429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).