methyl 3-[[2-(methylamino)quinazolin-4-yl]amino]propanoate

C13H16N4O2 — CID 80797515

IUPACmethyl 3-[[2-(methylamino)quinazolin-4-yl]amino]propanoate
SMILESCNc1nc(NCCC(=O)OC)c2ccccc2n1
InChIInChI=1S/C13H16N4O2/c1-14-13-16-10-6-4-3-5-9(10)12(17-13)15-8-7-11(18)19-2/h3-6H,7-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyRFXYYSLHPQOPKM-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.65
Rot. Bonds5

About methyl 3-[[2-(methylamino)quinazolin-4-yl]amino]propanoate

methyl 3-[[2-(methylamino)quinazolin-4-yl]amino]propanoate (PubChem CID 80797515) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is methyl 3-[[2-(methylamino)quinazolin-4-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(methylamino)quinazolin-4-yl]amino]propanoate
PubChem CID80797515
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Namemethyl 3-[[2-(methylamino)quinazolin-4-yl]amino]propanoate
SMILESCNc1nc(NCCC(=O)OC)c2ccccc2n1
InChIInChI=1S/C13H16N4O2/c1-14-13-16-10-6-4-3-5-9(10)12(17-13)15-8-7-11(18)19-2/h3-6H,7-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyRFXYYSLHPQOPKM-UHFFFAOYSA-N
XLogP1.65
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[2-(ethylamino)quinazolin-4-yl]amino]propanoate
CID 80798366
N-cyclopropyl-3-[[2-(methylamino)quinazolin-4-yl]amino]propanamide
CID 80835488
methyl 3-[(2-thiophen-3-ylquinazolin-4-yl)amino]propanoate
CID 71902211
4-N-(2-ethoxyethyl)-2-N-methylquinazoline-2,4-diamine
CID 80792753
methyl 2-[[2-(ethylamino)quinazolin-4-yl]amino]acetate
CID 80777540
N-ethyl-2-[[2-(methylamino)quinazolin-4-yl]amino]acetamide
CID 80787683
methyl 3-(1,2,4-benzotriazin-3-ylamino)propanoate
CID 103204118
2-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]quinazoline-2,4-diamine
CID 80819151
4-N-[2-(furan-2-yl)ethyl]-2-N-methylquinazoline-2,4-diamine
CID 80803693
ethyl 3-[(2-chloroquinazolin-4-yl)amino]propanoate
CID 62477868
2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770166
4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine
CID 80783719

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(methylamino)quinazolin-4-yl]amino]propanoate?
The IUPAC name of methyl 3-[[2-(methylamino)quinazolin-4-yl]amino]propanoate (CID 80797515) is methyl 3-[[2-(methylamino)quinazolin-4-yl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-(methylamino)quinazolin-4-yl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-(methylamino)quinazolin-4-yl]amino]propanoate is CNc1nc(NCCC(=O)OC)c2ccccc2n1.
What is the InChIKey of methyl 3-[[2-(methylamino)quinazolin-4-yl]amino]propanoate?
The InChIKey is RFXYYSLHPQOPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-14-13-16-10-6-4-3-5-9(10)12(17-13)15-8-7-11(18)19-2/h3-6H,7-8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of methyl 3-[[2-(methylamino)quinazolin-4-yl]amino]propanoate?
methyl 3-[[2-(methylamino)quinazolin-4-yl]amino]propanoate has a molecular weight of 260.30 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(methylamino)quinazolin-4-yl]amino]propanoate is sourced from PubChem (CID 80797515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).