methyl 2-methyl-2-(pyrimidin-4-ylamino)pentanoate

C11H17N3O2 — CID 62007006

IUPACmethyl 2-methyl-2-(pyrimidin-4-ylamino)pentanoate
SMILESCCCC(C)(Nc1ccncn1)C(=O)OC
InChIInChI=1S/C11H17N3O2/c1-4-6-11(2,10(15)16-3)14-9-5-7-12-8-13-9/h5,7-8H,4,6H2,1-3H3,(H,12,13,14)
InChIKeyMMFNOZMDIYNLKN-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.62
Rot. Bonds5

About methyl 2-methyl-2-(pyrimidin-4-ylamino)pentanoate

methyl 2-methyl-2-(pyrimidin-4-ylamino)pentanoate (PubChem CID 62007006) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is methyl 2-methyl-2-(pyrimidin-4-ylamino)pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(pyrimidin-4-ylamino)pentanoate
PubChem CID62007006
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namemethyl 2-methyl-2-(pyrimidin-4-ylamino)pentanoate
SMILESCCCC(C)(Nc1ccncn1)C(=O)OC
InChIInChI=1S/C11H17N3O2/c1-4-6-11(2,10(15)16-3)14-9-5-7-12-8-13-9/h5,7-8H,4,6H2,1-3H3,(H,12,13,14)
InChIKeyMMFNOZMDIYNLKN-UHFFFAOYSA-N
XLogP1.62
TPSA64.11 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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-2-methylpentanoate
CID 66320364
methyl 2-methyl-2-(pyridine-4-carbonylamino)pentanoate
CID 43431377
methyl 6-[(1-methoxy-2-methyl-1-oxopentan-2-yl)amino]pyridazine-3-carboxylate
CID 62006057
methyl 2-[(6-amino-5-nitro-2-pyridinyl)amino]-2-methylpentanoate
CID 79815726
methyl 2-(4-methoxyanilino)-2-methylpentanoate
CID 54890065
methyl 2-(ethylamino)-2-methylpentanoate
CID 60788198
2-methyl-2-N-pyrimidin-4-ylbutane-1,2-diamine
CID 64550109
methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentanoate
CID 66326164
N-pyrimidin-4-ylbutanamide
CID 130272746
2-methoxy-N-pyrimidin-4-ylacetamide
CID 110460486
ethane;N-ethylpyrimidin-4-amine
CID 167491074
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpentanoate
CID 115355512

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(pyrimidin-4-ylamino)pentanoate?
The IUPAC name of methyl 2-methyl-2-(pyrimidin-4-ylamino)pentanoate (CID 62007006) is methyl 2-methyl-2-(pyrimidin-4-ylamino)pentanoate.
What is the SMILES notation for methyl 2-methyl-2-(pyrimidin-4-ylamino)pentanoate?
The canonical SMILES for methyl 2-methyl-2-(pyrimidin-4-ylamino)pentanoate is CCCC(C)(Nc1ccncn1)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-(pyrimidin-4-ylamino)pentanoate?
The InChIKey is MMFNOZMDIYNLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-6-11(2,10(15)16-3)14-9-5-7-12-8-13-9/h5,7-8H,4,6H2,1-3H3,(H,12,13,14).
What are the key properties of methyl 2-methyl-2-(pyrimidin-4-ylamino)pentanoate?
methyl 2-methyl-2-(pyrimidin-4-ylamino)pentanoate has a molecular weight of 223.28 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(pyrimidin-4-ylamino)pentanoate is sourced from PubChem (CID 62007006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).