methyl 2-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetate

C13H22N4O2 — CID 80956565

IUPACmethyl 2-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetate
SMILESCCCNc1cc(NCC(=O)OC)nc(C(C)C)n1
InChIInChI=1S/C13H22N4O2/c1-5-6-14-10-7-11(15-8-12(18)19-4)17-13(16-10)9(2)3/h7,9H,5-6,8H2,1-4H3,(H2,14,15,16,17)
InChIKeyGTQPAVIDQPRJSP-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.01
Rot. Bonds7

About methyl 2-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetate

methyl 2-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetate (PubChem CID 80956565) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 2-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetate
PubChem CID80956565
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Namemethyl 2-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetate
SMILESCCCNc1cc(NCC(=O)OC)nc(C(C)C)n1
InChIInChI=1S/C13H22N4O2/c1-5-6-14-10-7-11(15-8-12(18)19-4)17-13(16-10)9(2)3/h7,9H,5-6,8H2,1-4H3,(H2,14,15,16,17)
InChIKeyGTQPAVIDQPRJSP-UHFFFAOYSA-N
XLogP2.01
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetate with MolForge

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Related Compounds

methyl 2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetate
CID 106770479
4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955537
3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80966847
methyl 2-[[6-(propylamino)-2-pyridinyl]amino]acetate
CID 80778103
4-N-(3-methylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80956885
2-methyl-1-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80960142
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
4-N-(2,2-dimethylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 103466665
4-N-(2-methylsulfanylethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80960222
ethyl 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80789524
2-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80955543
6-(4-methoxyphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80949110

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetate?
The IUPAC name of methyl 2-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetate (CID 80956565) is methyl 2-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetate?
The canonical SMILES for methyl 2-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetate is CCCNc1cc(NCC(=O)OC)nc(C(C)C)n1.
What is the InChIKey of methyl 2-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetate?
The InChIKey is GTQPAVIDQPRJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-5-6-14-10-7-11(15-8-12(18)19-4)17-13(16-10)9(2)3/h7,9H,5-6,8H2,1-4H3,(H2,14,15,16,17).
What are the key properties of methyl 2-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetate?
methyl 2-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetate has a molecular weight of 266.34 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetate is sourced from PubChem (CID 80956565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).