3-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-3-methylbutanamide

C12H21N5O — CID 106098719

IUPAC3-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-3-methylbutanamide
SMILESCCNc1cc(NC(C)(C)CC(N)=O)nc(C)n1
InChIInChI=1S/C12H21N5O/c1-5-14-10-6-11(16-8(2)15-10)17-12(3,4)7-9(13)18/h6H,5,7H2,1-4H3,(H2,13,18)(H2,14,15,16,17)
InChIKeyIEGJCFCQCNHLQK-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.28
Rot. Bonds6

About 3-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-3-methylbutanamide

3-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-3-methylbutanamide (PubChem CID 106098719) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-3-methylbutanamide
PubChem CID106098719
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name3-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-3-methylbutanamide
SMILESCCNc1cc(NC(C)(C)CC(N)=O)nc(C)n1
InChIInChI=1S/C12H21N5O/c1-5-14-10-6-11(16-8(2)15-10)17-12(3,4)7-9(13)18/h6H,5,7H2,1-4H3,(H2,13,18)(H2,14,15,16,17)
InChIKeyIEGJCFCQCNHLQK-UHFFFAOYSA-N
XLogP1.28
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(2-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}ethyl)propanamide
CID 45497025
N-(2-((6-(ethylamino)-2-methylpyrimidin-4-yl)amino)ethyl)acetamide
CID 45497026
1-(4-(6-(Ethylamino)-2-methylpyrimidin-4-yl)piperazin-1-yl)butan-1-one
CID 50946039
1-(4-(6-(Ethylamino)-2-methylpyrimidin-4-yl)piperazin-1-yl)-2-methylpropan-1-one
CID 56699070
4-N,6-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 80769805
N-tert-butyl-3-[(6-fluoropyrimidin-4-yl)amino]propanamide
CID 104428473
3-[(6-fluoropyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
CID 104428509
1-[6-(Methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 105554962
1-[6-Amino-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 105554992
1-[6-(Ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 105555038
3-Methyl-1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 105555141
1-[6-Amino-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidine-3-carboxamide
CID 105555170

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-3-methylbutanamide?
The IUPAC name of 3-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-3-methylbutanamide (CID 106098719) is 3-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-3-methylbutanamide.
What is the SMILES notation for 3-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-3-methylbutanamide?
The canonical SMILES for 3-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-3-methylbutanamide is CCNc1cc(NC(C)(C)CC(N)=O)nc(C)n1.
What is the InChIKey of 3-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-3-methylbutanamide?
The InChIKey is IEGJCFCQCNHLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-5-14-10-6-11(16-8(2)15-10)17-12(3,4)7-9(13)18/h6H,5,7H2,1-4H3,(H2,13,18)(H2,14,15,16,17).
What are the key properties of 3-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-3-methylbutanamide?
3-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-3-methylbutanamide has a molecular weight of 251.33 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-3-methylbutanamide is sourced from PubChem (CID 106098719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).