ethyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]acetate

C15H26N4O2 — CID 80960937

IUPACethyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]acetate
SMILESCCCNc1cc(NCC(=O)OCC)nc(C(C)(C)C)n1
InChIInChI=1S/C15H26N4O2/c1-6-8-16-11-9-12(17-10-13(20)21-7-2)19-14(18-11)15(3,4)5/h9H,6-8,10H2,1-5H3,(H2,16,17,18,19)
InChIKeyUIPDLXAPNPZSCM-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.57
Rot. Bonds7

About ethyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]acetate

ethyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]acetate (PubChem CID 80960937) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is ethyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]acetate
PubChem CID80960937
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Nameethyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]acetate
SMILESCCCNc1cc(NCC(=O)OCC)nc(C(C)(C)C)n1
InChIInChI=1S/C15H26N4O2/c1-6-8-16-11-9-12(17-10-13(20)21-7-2)19-14(18-11)15(3,4)5/h9H,6-8,10H2,1-5H3,(H2,16,17,18,19)
InChIKeyUIPDLXAPNPZSCM-UHFFFAOYSA-N
XLogP2.57
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80789524
methyl 2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetate
CID 106770479
methyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80961991
3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide
CID 106178955
ethyl 4-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]butanoate
CID 80951372
methyl 3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]propanoate
CID 80964160
2-tert-butyl-4-N-propylpyrimidine-4,6-diamine
CID 80957078
methyl 3-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanoate
CID 106771014
3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179363
methyl 2-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80956565
2-tert-butyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 106332144
2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955764

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]acetate?
The IUPAC name of ethyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]acetate (CID 80960937) is ethyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]acetate is CCCNc1cc(NCC(=O)OCC)nc(C(C)(C)C)n1.
What is the InChIKey of ethyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]acetate?
The InChIKey is UIPDLXAPNPZSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-6-8-16-11-9-12(17-10-13(20)21-7-2)19-14(18-11)15(3,4)5/h9H,6-8,10H2,1-5H3,(H2,16,17,18,19).
What are the key properties of ethyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]acetate?
ethyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]acetate has a molecular weight of 294.40 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]acetate is sourced from PubChem (CID 80960937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).