2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylacetamide

C12H21N5O — CID 80955338

IUPAC2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylacetamide
SMILESCCCc1nc(NCC)cc(NCC(=O)NC)n1
InChIInChI=1S/C12H21N5O/c1-4-6-9-16-10(14-5-2)7-11(17-9)15-8-12(18)13-3/h7H,4-6,8H2,1-3H3,(H,13,18)(H2,14,15,16,17)
InChIKeyMQNCSRBBEHCEST-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.02
Rot. Bonds7

About 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylacetamide

2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylacetamide (PubChem CID 80955338) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylacetamide
PubChem CID80955338
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylacetamide
SMILESCCCc1nc(NCC)cc(NCC(=O)NC)n1
InChIInChI=1S/C12H21N5O/c1-4-6-9-16-10(14-5-2)7-11(17-9)15-8-12(18)13-3/h7H,4-6,8H2,1-3H3,(H,13,18)(H2,14,15,16,17)
InChIKeyMQNCSRBBEHCEST-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
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80945317
N-ethyl-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80954429
N-cyclopropyl-2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80955065
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylpropanamide
CID 80954522
N-propyl-2-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80942500
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-N-methylacetamide
CID 80994288
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol
CID 80950028
6-N-ethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidine-4,6-diamine
CID 80943193
N-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
CID 106770681
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80954643

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylacetamide?
The IUPAC name of 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylacetamide (CID 80955338) is 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylacetamide is CCCc1nc(NCC)cc(NCC(=O)NC)n1.
What is the InChIKey of 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylacetamide?
The InChIKey is MQNCSRBBEHCEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-4-6-9-16-10(14-5-2)7-11(17-9)15-8-12(18)13-3/h7H,4-6,8H2,1-3H3,(H,13,18)(H2,14,15,16,17).
What are the key properties of 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylacetamide?
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylacetamide 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 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylacetamide is sourced from PubChem (CID 80955338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).