3-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide

C14H23N5O — CID 106280746

IUPAC3-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1cc(NC)nc(C2CC2)n1
InChIInChI=1S/C14H23N5O/c1-14(2,13(20)16-4)8-17-11-7-10(15-3)18-12(19-11)9-5-6-9/h7,9H,5-6,8H2,1-4H3,(H,16,20)(H2,15,17,18,19)
InChIKeyXCGVZZUZFAYXDG-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.58
Rot. Bonds6

About 3-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide

3-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide (PubChem CID 106280746) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
PubChem CID106280746
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name3-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1cc(NC)nc(C2CC2)n1
InChIInChI=1S/C14H23N5O/c1-14(2,13(20)16-4)8-17-11-7-10(15-3)18-12(19-11)9-5-6-9/h7,9H,5-6,8H2,1-4H3,(H,16,20)(H2,15,17,18,19)
InChIKeyXCGVZZUZFAYXDG-UHFFFAOYSA-N
XLogP1.58
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide 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

2-methyl-N-(2-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}ethyl)propanamide
CID 45497025
N-(2-((6-(pyrrolidin-1-yl)pyrimidin-4-yl)amino)ethyl)pivalamide
CID 70702911
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
1-[(3S)-3-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone
CID 97245451
2-cyclopropyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80957111
2-cyclopropyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80957403
2-cyclopropyl-6-N-ethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80957924
2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80958330
2-cyclopropyl-4-N,6-N-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80958477
2-cyclopropyl-4-N-methyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80959676

Frequently Asked Questions

What is the IUPAC name of 3-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide (CID 106280746) is 3-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1cc(NC)nc(C2CC2)n1.
What is the InChIKey of 3-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide?
The InChIKey is XCGVZZUZFAYXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-14(2,13(20)16-4)8-17-11-7-10(15-3)18-12(19-11)9-5-6-9/h7,9H,5-6,8H2,1-4H3,(H,16,20)(H2,15,17,18,19).
What are the key properties of 3-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide?
3-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106280746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).