propan-2-yl 2-methyl-3-[(6-methylpyrimidin-4-yl)amino]propanoate

C12H19N3O2 — CID 133325454

IUPACpropan-2-yl 2-methyl-3-[(6-methylpyrimidin-4-yl)amino]propanoate
SMILESCc1cc(NCC(C)C(=O)OC(C)C)ncn1
InChIInChI=1S/C12H19N3O2/c1-8(2)17-12(16)9(3)6-13-11-5-10(4)14-7-15-11/h5,7-9H,6H2,1-4H3,(H,13,14,15)
InChIKeyPEWBFNXINYNCRX-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.78
Rot. Bonds5

About propan-2-yl 2-methyl-3-[(6-methylpyrimidin-4-yl)amino]propanoate

propan-2-yl 2-methyl-3-[(6-methylpyrimidin-4-yl)amino]propanoate (PubChem CID 133325454) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is propan-2-yl 2-methyl-3-[(6-methylpyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-methyl-3-[(6-methylpyrimidin-4-yl)amino]propanoate
PubChem CID133325454
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Namepropan-2-yl 2-methyl-3-[(6-methylpyrimidin-4-yl)amino]propanoate
SMILESCc1cc(NCC(C)C(=O)OC(C)C)ncn1
InChIInChI=1S/C12H19N3O2/c1-8(2)17-12(16)9(3)6-13-11-5-10(4)14-7-15-11/h5,7-9H,6H2,1-4H3,(H,13,14,15)
InChIKeyPEWBFNXINYNCRX-UHFFFAOYSA-N
XLogP1.78
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-methyl-3-[(6-methylpyrimidin-4-yl)amino]propanoate?
The IUPAC name of propan-2-yl 2-methyl-3-[(6-methylpyrimidin-4-yl)amino]propanoate (CID 133325454) is propan-2-yl 2-methyl-3-[(6-methylpyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for propan-2-yl 2-methyl-3-[(6-methylpyrimidin-4-yl)amino]propanoate?
The canonical SMILES for propan-2-yl 2-methyl-3-[(6-methylpyrimidin-4-yl)amino]propanoate is Cc1cc(NCC(C)C(=O)OC(C)C)ncn1.
What is the InChIKey of propan-2-yl 2-methyl-3-[(6-methylpyrimidin-4-yl)amino]propanoate?
The InChIKey is PEWBFNXINYNCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)17-12(16)9(3)6-13-11-5-10(4)14-7-15-11/h5,7-9H,6H2,1-4H3,(H,13,14,15).
What are the key properties of propan-2-yl 2-methyl-3-[(6-methylpyrimidin-4-yl)amino]propanoate?
propan-2-yl 2-methyl-3-[(6-methylpyrimidin-4-yl)amino]propanoate has a molecular weight of 237.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-methyl-3-[(6-methylpyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 133325454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).