methyl 3-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate

C14H24N4O2 — CID 80954586

IUPACmethyl 3-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
SMILESCCCNc1cc(NCCC(=O)OC)nc(CCC)n1
InChIInChI=1S/C14H24N4O2/c1-4-6-11-17-12(15-8-5-2)10-13(18-11)16-9-7-14(19)20-3/h10H,4-9H2,1-3H3,(H2,15,16,17,18)
InChIKeySSFMNUHODKYKTI-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.23
Rot. Bonds9

About methyl 3-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate

methyl 3-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate (PubChem CID 80954586) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl 3-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
PubChem CID80954586
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Namemethyl 3-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
SMILESCCCNc1cc(NCCC(=O)OC)nc(CCC)n1
InChIInChI=1S/C14H24N4O2/c1-4-6-11-17-12(15-8-5-2)10-13(18-11)16-9-7-14(19)20-3/h10H,4-9H2,1-3H3,(H2,15,16,17,18)
InChIKeySSFMNUHODKYKTI-UHFFFAOYSA-N
XLogP2.23
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate with MolForge

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Related Compounds

methyl 3-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanoate
CID 106771014
methyl 3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80986480
methyl 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]propanoate
CID 80797128
N-propyl-2-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80942500
2-[2-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethoxy]acetamide
CID 106241892
6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80946225
ethyl 4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butanoate
CID 80946727
1-methoxy-4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 106248740
methyl 3-[2-ethyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropanoate
CID 80937339
3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80933122
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate?
The IUPAC name of methyl 3-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate (CID 80954586) is methyl 3-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate is CCCNc1cc(NCCC(=O)OC)nc(CCC)n1.
What is the InChIKey of methyl 3-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate?
The InChIKey is SSFMNUHODKYKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-6-11-17-12(15-8-5-2)10-13(18-11)16-9-7-14(19)20-3/h10H,4-9H2,1-3H3,(H2,15,16,17,18).
What are the key properties of methyl 3-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate?
methyl 3-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate has a molecular weight of 280.37 g/mol, XLogP of 2.23, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate is sourced from PubChem (CID 80954586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).