methyl 2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)-propan-2-ylamino]acetate

C14H20ClN3O3 — CID 62016564

IUPACmethyl 2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1nc(C(C)C)ncc1Cl)C(C)C
InChIInChI=1S/C14H20ClN3O3/c1-8(2)13-16-6-10(15)12(17-13)14(20)18(9(3)4)7-11(19)21-5/h6,8-9H,7H2,1-5H3
InChIKeyUHUMJSGSMTXORB-UHFFFAOYSA-N
MW313.79 g/mol
LogP2.28
Rot. Bonds5

About methyl 2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)-propan-2-ylamino]acetate

methyl 2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)-propan-2-ylamino]acetate (PubChem CID 62016564) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is methyl 2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)-propan-2-ylamino]acetate
PubChem CID62016564
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC Namemethyl 2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1nc(C(C)C)ncc1Cl)C(C)C
InChIInChI=1S/C14H20ClN3O3/c1-8(2)13-16-6-10(15)12(17-13)14(20)18(9(3)4)7-11(19)21-5/h6,8-9H,7H2,1-5H3
InChIKeyUHUMJSGSMTXORB-UHFFFAOYSA-N
XLogP2.28
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)-propan-2-ylamino]acetate (CID 62016564) is methyl 2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)-propan-2-ylamino]acetate is COC(=O)CN(C(=O)c1nc(C(C)C)ncc1Cl)C(C)C.
What is the InChIKey of methyl 2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)-propan-2-ylamino]acetate?
The InChIKey is UHUMJSGSMTXORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c1-8(2)13-16-6-10(15)12(17-13)14(20)18(9(3)4)7-11(19)21-5/h6,8-9H,7H2,1-5H3.
What are the key properties of methyl 2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)-propan-2-ylamino]acetate?
methyl 2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)-propan-2-ylamino]acetate has a molecular weight of 313.79 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 62016564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).