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

C13H23N5O2 — CID 106347563

IUPAC2-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-3-methylbutanamide
SMILESCCNc1cc(NC(C(N)=O)C(C)C)nc(COC)n1
InChIInChI=1S/C13H23N5O2/c1-5-15-9-6-10(17-11(16-9)7-20-4)18-12(8(2)3)13(14)19/h6,8,12H,5,7H2,1-4H3,(H2,14,19)(H2,15,16,17,18)
InChIKeyHTWMUDRLJWCBQB-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.98
Rot. Bonds8

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

2-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-3-methylbutanamide (PubChem CID 106347563) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-3-methylbutanamide
PubChem CID106347563
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-3-methylbutanamide
SMILESCCNc1cc(NC(C(N)=O)C(C)C)nc(COC)n1
InChIInChI=1S/C13H23N5O2/c1-5-15-9-6-10(17-11(16-9)7-20-4)18-12(8(2)3)13(14)19/h6,8,12H,5,7H2,1-4H3,(H2,14,19)(H2,15,16,17,18)
InChIKeyHTWMUDRLJWCBQB-UHFFFAOYSA-N
XLogP0.98
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propanoate
CID 80961777
methyl 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutanoate
CID 80937066
4-N-(3,3-dimethylbutan-2-yl)-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine
CID 104830551
methyl 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate
CID 80801920
2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80967066
2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106347615
1-(dimethylamino)-3-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 106150090
6-N,2-diethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,6-diamine
CID 80933516
1-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296318
N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 106347132
6-N,2-diethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80933317
6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine
CID 80840157

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-3-methylbutanamide?
The IUPAC name of 2-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-3-methylbutanamide (CID 106347563) is 2-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-3-methylbutanamide.
What is the SMILES notation for 2-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-3-methylbutanamide?
The canonical SMILES for 2-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-3-methylbutanamide is CCNc1cc(NC(C(N)=O)C(C)C)nc(COC)n1.
What is the InChIKey of 2-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-3-methylbutanamide?
The InChIKey is HTWMUDRLJWCBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-5-15-9-6-10(17-11(16-9)7-20-4)18-12(8(2)3)13(14)19/h6,8,12H,5,7H2,1-4H3,(H2,14,19)(H2,15,16,17,18).
What are the key properties of 2-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-3-methylbutanamide?
2-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-3-methylbutanamide has a molecular weight of 281.36 g/mol, XLogP of 0.98, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-3-methylbutanamide is sourced from PubChem (CID 106347563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).