methyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate

C7H10N4O2 — CID 116646751

IUPACmethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
SMILESCNc1ncc(C(=O)OC)c(N)n1
InChIInChI=1S/C7H10N4O2/c1-9-7-10-3-4(5(8)11-7)6(12)13-2/h3H,1-2H3,(H3,8,9,10,11)
InChIKeyDQQLTLIDGAMXFI-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.11
Rot. Bonds2

About methyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate

methyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate (PubChem CID 116646751) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is methyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
PubChem CID116646751
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Namemethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
SMILESCNc1ncc(C(=O)OC)c(N)n1
InChIInChI=1S/C7H10N4O2/c1-9-7-10-3-4(5(8)11-7)6(12)13-2/h3H,1-2H3,(H3,8,9,10,11)
InChIKeyDQQLTLIDGAMXFI-UHFFFAOYSA-N
XLogP-0.11
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate (CID 116646751) is methyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate is CNc1ncc(C(=O)OC)c(N)n1.
What is the InChIKey of methyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate?
The InChIKey is DQQLTLIDGAMXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-9-7-10-3-4(5(8)11-7)6(12)13-2/h3H,1-2H3,(H3,8,9,10,11).
What are the key properties of methyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate?
methyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate has a molecular weight of 182.18 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate is sourced from PubChem (CID 116646751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).