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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Related Compounds

1-[(6-methylpyrimidin-4-yl)amino]propan-2-ol
CID 61226295
(2S)-4-methyl-2-[(6-methylpyrimidin-4-yl)amino]pentanoic acid
CID 122050185
N-(3-chloro-2-methylpropyl)-6-methylpyrimidin-4-amine
CID 65037496
2-[(6-methylpyrimidin-4-yl)amino]ethylurea
CID 79033984
methyl N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]carbamate
CID 90453684
methyl 3-[(6-methylpyrimidin-4-yl)amino]propanoate
CID 61225699
6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine
CID 102609023
1-(4-aminophenyl)-2-[(6-methylpyrimidin-4-yl)amino]ethanol
CID 61224926
propan-2-yl (2S)-3-[(2,6-dimethylpyrimidine-4-carbonyl)amino]-2-methylpropanoate
CID 97353365
N-tert-butyl-2-[(6-methylpyrimidin-4-yl)amino]acetamide
CID 78954650
6-methyl-N-(2-methyl-3-phenylmethoxypropyl)pyrimidin-4-amine
CID 133298482
2-methyl-3-[[6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]amino]propanoic acid
CID 115264363

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).