methyl 2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]acetate

C10H15ClN4O2 — CID 80777905

IUPACmethyl 2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]acetate
SMILESCCCNc1ncc(Cl)c(NCC(=O)OC)n1
InChIInChI=1S/C10H15ClN4O2/c1-3-4-12-10-14-5-7(11)9(15-10)13-6-8(16)17-2/h5H,3-4,6H2,1-2H3,(H2,12,13,14,15)
InChIKeyBXBYNMJTTTZMEV-UHFFFAOYSA-N
MW258.71 g/mol
LogP1.54
Rot. Bonds6

About methyl 2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]acetate

methyl 2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]acetate (PubChem CID 80777905) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is methyl 2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]acetate
PubChem CID80777905
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Namemethyl 2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]acetate
SMILESCCCNc1ncc(Cl)c(NCC(=O)OC)n1
InChIInChI=1S/C10H15ClN4O2/c1-3-4-12-10-14-5-7(11)9(15-10)13-6-8(16)17-2/h5H,3-4,6H2,1-2H3,(H2,12,13,14,15)
InChIKeyBXBYNMJTTTZMEV-UHFFFAOYSA-N
XLogP1.54
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]acetate with MolForge

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Related Compounds

5-chloro-4-N-(2-methoxyethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80765635
5-chloro-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80814220
3-[2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea
CID 83118369
5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565369
5-chloro-4-N-(3-ethylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80841619
1-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296292
2-[[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]methyl]-2-ethylbutan-1-ol
CID 106258279
4-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149910
5-chloro-4-N-[(2-chlorophenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80786539
5-chloro-4-N-[3-[methyl(propan-2-yl)amino]propyl]-2-N-propylpyrimidine-2,4-diamine
CID 106042072
5-chloro-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 80768239
5-chloro-4-N-(2,2-dimethylheptyl)-2-N-propylpyrimidine-2,4-diamine
CID 80839036

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]acetate?
The IUPAC name of methyl 2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]acetate (CID 80777905) is methyl 2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]acetate?
The canonical SMILES for methyl 2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]acetate is CCCNc1ncc(Cl)c(NCC(=O)OC)n1.
What is the InChIKey of methyl 2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]acetate?
The InChIKey is BXBYNMJTTTZMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c1-3-4-12-10-14-5-7(11)9(15-10)13-6-8(16)17-2/h5H,3-4,6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of methyl 2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]acetate?
methyl 2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]acetate has a molecular weight of 258.71 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]acetate is sourced from PubChem (CID 80777905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).