methyl 4-amino-3-pyrimidin-4-ylhexanoate

C11H17N3O2 — CID 66097506

IUPACmethyl 4-amino-3-pyrimidin-4-ylhexanoate
SMILESCCC(N)C(CC(=O)OC)c1ccncn1
InChIInChI=1S/C11H17N3O2/c1-3-9(12)8(6-11(15)16-2)10-4-5-13-7-14-10/h4-5,7-9H,3,6,12H2,1-2H3
InChIKeySOVJKBIFSBHYLE-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.86
Rot. Bonds5

About methyl 4-amino-3-pyrimidin-4-ylhexanoate

methyl 4-amino-3-pyrimidin-4-ylhexanoate (PubChem CID 66097506) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is methyl 4-amino-3-pyrimidin-4-ylhexanoate.

Molecular Properties

Compound Namemethyl 4-amino-3-pyrimidin-4-ylhexanoate
PubChem CID66097506
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namemethyl 4-amino-3-pyrimidin-4-ylhexanoate
SMILESCCC(N)C(CC(=O)OC)c1ccncn1
InChIInChI=1S/C11H17N3O2/c1-3-9(12)8(6-11(15)16-2)10-4-5-13-7-14-10/h4-5,7-9H,3,6,12H2,1-2H3
InChIKeySOVJKBIFSBHYLE-UHFFFAOYSA-N
XLogP0.86
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-amino-3-(2-methylpyrimidin-4-yl)hexanoate
CID 115529888
methyl 4-amino-3-pyridin-3-ylhexanoate
CID 66097725
methyl 4-amino-3-(furan-3-yl)hexanoate
CID 66097088
fluoro 2-pyrimidin-4-ylbutanoate
CID 174843549
methyl 4-amino-3-(3,5-dimethylphenyl)hexanoate
CID 66096673
methyl 4-amino-3-(3-propylimidazol-4-yl)hexanoate
CID 66132058
methyl 4-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanoate
CID 66097936
2-amino-2-pyrimidin-4-ylacetic acid
CID 23132468
methyl 4-amino-3-[3-(trifluoromethyl)phenyl]hexanoate
CID 66096264
3-pyrimidin-4-ylbutanoic acid
CID 82597054
(3-methoxypyrazin-2-yl)-pyrimidin-4-ylmethanamine
CID 104515599
methyl (3R)-3-amino-3-(3-methyl-4-pyridinyl)propanoate
CID 55278233

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-pyrimidin-4-ylhexanoate?
The IUPAC name of methyl 4-amino-3-pyrimidin-4-ylhexanoate (CID 66097506) is methyl 4-amino-3-pyrimidin-4-ylhexanoate.
What is the SMILES notation for methyl 4-amino-3-pyrimidin-4-ylhexanoate?
The canonical SMILES for methyl 4-amino-3-pyrimidin-4-ylhexanoate is CCC(N)C(CC(=O)OC)c1ccncn1.
What is the InChIKey of methyl 4-amino-3-pyrimidin-4-ylhexanoate?
The InChIKey is SOVJKBIFSBHYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-9(12)8(6-11(15)16-2)10-4-5-13-7-14-10/h4-5,7-9H,3,6,12H2,1-2H3.
What are the key properties of methyl 4-amino-3-pyrimidin-4-ylhexanoate?
methyl 4-amino-3-pyrimidin-4-ylhexanoate has a molecular weight of 223.28 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-pyrimidin-4-ylhexanoate is sourced from PubChem (CID 66097506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).