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

C9H13N3O2 — CID 61225699

IUPACmethyl 3-[(6-methylpyrimidin-4-yl)amino]propanoate
SMILESCOC(=O)CCNc1cc(C)ncn1
InChIInChI=1S/C9H13N3O2/c1-7-5-8(12-6-11-7)10-4-3-9(13)14-2/h5-6H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyLEZRJNNACOAIPQ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.76
Rot. Bonds4

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

methyl 3-[(6-methylpyrimidin-4-yl)amino]propanoate (PubChem CID 61225699) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl 3-[(6-methylpyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(6-methylpyrimidin-4-yl)amino]propanoate
PubChem CID61225699
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Namemethyl 3-[(6-methylpyrimidin-4-yl)amino]propanoate
SMILESCOC(=O)CCNc1cc(C)ncn1
InChIInChI=1S/C9H13N3O2/c1-7-5-8(12-6-11-7)10-4-3-9(13)14-2/h5-6H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyLEZRJNNACOAIPQ-UHFFFAOYSA-N
XLogP0.76
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]carbamate
CID 90453684
methyl 3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoate
CID 115264973
methyl 3-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]amino]propanoate
CID 115264976
2-[(6-methylpyrimidin-4-yl)amino]ethylurea
CID 79033984
methyl 3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoate
CID 82316641
N-(5-methyl-2-pyridinyl)-3-[(6-methylpyrimidin-4-yl)amino]propanamide
CID 133301210
N-(2-bromoethyl)-6-methylpyrimidin-4-amine
CID 126848039
N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115620732
methyl 3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanoate
CID 114765934
N-(3-bromopropyl)-6-methylpyrimidin-4-amine
CID 126848040
N',N'-dimethyl-N-(6-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 61225693
methyl 3-[(6-amino-5-methylpyrimidin-4-yl)amino]propanoate
CID 80796856

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-methylpyrimidin-4-yl)amino]propanoate?
The IUPAC name of methyl 3-[(6-methylpyrimidin-4-yl)amino]propanoate (CID 61225699) is methyl 3-[(6-methylpyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[(6-methylpyrimidin-4-yl)amino]propanoate?
The canonical SMILES for methyl 3-[(6-methylpyrimidin-4-yl)amino]propanoate is COC(=O)CCNc1cc(C)ncn1.
What is the InChIKey of methyl 3-[(6-methylpyrimidin-4-yl)amino]propanoate?
The InChIKey is LEZRJNNACOAIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-7-5-8(12-6-11-7)10-4-3-9(13)14-2/h5-6H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of methyl 3-[(6-methylpyrimidin-4-yl)amino]propanoate?
methyl 3-[(6-methylpyrimidin-4-yl)amino]propanoate has a molecular weight of 195.22 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-methylpyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 61225699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).