methyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate

C11H18N4O2 — CID 80955368

IUPACmethyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate
SMILESCCCc1nc(N)cc(NC(C)C(=O)OC)n1
InChIInChI=1S/C11H18N4O2/c1-4-5-9-14-8(12)6-10(15-9)13-7(2)11(16)17-3/h6-7H,4-5H2,1-3H3,(H3,12,13,14,15)
InChIKeyCWVBWCKQAQJEFE-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.98
Rot. Bonds5

About methyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate

methyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate (PubChem CID 80955368) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate
PubChem CID80955368
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Namemethyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate
SMILESCCCc1nc(N)cc(NC(C)C(=O)OC)n1
InChIInChI=1S/C11H18N4O2/c1-4-5-9-14-8(12)6-10(15-9)13-7(2)11(16)17-3/h6-7H,4-5H2,1-3H3,(H3,12,13,14,15)
InChIKeyCWVBWCKQAQJEFE-UHFFFAOYSA-N
XLogP0.98
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate
CID 80954453
methyl 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]propanoate
CID 80935382
methyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate
CID 80947630
ethyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate
CID 80947723
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]-N-ethylpropanamide
CID 80935004
4-N-hexan-2-yl-2-propylpyrimidine-4,6-diamine
CID 80954835
2-[(6-amino-2-propylpyrimidin-4-yl)amino]ethylurea
CID 83118298
6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947336
methyl 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate
CID 80801920
4-N-(3-methoxy-2-methylpropyl)-2-propylpyrimidine-4,6-diamine
CID 80954546
4-N-octan-4-yl-2-propylpyrimidine-4,6-diamine
CID 106028699
methyl 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propanoate
CID 80961777

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate?
The IUPAC name of methyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate (CID 80955368) is methyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for methyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate?
The canonical SMILES for methyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate is CCCc1nc(N)cc(NC(C)C(=O)OC)n1.
What is the InChIKey of methyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate?
The InChIKey is CWVBWCKQAQJEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-4-5-9-14-8(12)6-10(15-9)13-7(2)11(16)17-3/h6-7H,4-5H2,1-3H3,(H3,12,13,14,15).
What are the key properties of methyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate?
methyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate has a molecular weight of 238.29 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 80955368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).