N-[2-amino-4-methoxy-6-(methylamino)pyrimidin-5-yl]-N-methylformamide

C8H13N5O2 — CID 10774848

IUPACN-[2-amino-4-methoxy-6-(methylamino)pyrimidin-5-yl]-N-methylformamide
SMILESCNc1nc(N)nc(OC)c1N(C)C=O
InChIInChI=1S/C8H13N5O2/c1-10-6-5(13(2)4-14)7(15-3)12-8(9)11-6/h4H,1-3H3,(H3,9,10,11,12)
InChIKeyWZRMOHGHRQGERS-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.30
Rot. Bonds4

About N-[2-amino-4-methoxy-6-(methylamino)pyrimidin-5-yl]-N-methylformamide

N-[2-amino-4-methoxy-6-(methylamino)pyrimidin-5-yl]-N-methylformamide (PubChem CID 10774848) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-[2-amino-4-methoxy-6-(methylamino)pyrimidin-5-yl]-N-methylformamide.

Molecular Properties

Compound NameN-[2-amino-4-methoxy-6-(methylamino)pyrimidin-5-yl]-N-methylformamide
PubChem CID10774848
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC NameN-[2-amino-4-methoxy-6-(methylamino)pyrimidin-5-yl]-N-methylformamide
SMILESCNc1nc(N)nc(OC)c1N(C)C=O
InChIInChI=1S/C8H13N5O2/c1-10-6-5(13(2)4-14)7(15-3)12-8(9)11-6/h4H,1-3H3,(H3,9,10,11,12)
InChIKeyWZRMOHGHRQGERS-UHFFFAOYSA-N
XLogP-0.30
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-methoxy-6-(methylamino)pyrimidin-5-yl]-N-methylformamide?
The IUPAC name of N-[2-amino-4-methoxy-6-(methylamino)pyrimidin-5-yl]-N-methylformamide (CID 10774848) is N-[2-amino-4-methoxy-6-(methylamino)pyrimidin-5-yl]-N-methylformamide.
What is the SMILES notation for N-[2-amino-4-methoxy-6-(methylamino)pyrimidin-5-yl]-N-methylformamide?
The canonical SMILES for N-[2-amino-4-methoxy-6-(methylamino)pyrimidin-5-yl]-N-methylformamide is CNc1nc(N)nc(OC)c1N(C)C=O.
What is the InChIKey of N-[2-amino-4-methoxy-6-(methylamino)pyrimidin-5-yl]-N-methylformamide?
The InChIKey is WZRMOHGHRQGERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-10-6-5(13(2)4-14)7(15-3)12-8(9)11-6/h4H,1-3H3,(H3,9,10,11,12).
What are the key properties of N-[2-amino-4-methoxy-6-(methylamino)pyrimidin-5-yl]-N-methylformamide?
N-[2-amino-4-methoxy-6-(methylamino)pyrimidin-5-yl]-N-methylformamide has a molecular weight of 211.22 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-methoxy-6-(methylamino)pyrimidin-5-yl]-N-methylformamide is sourced from PubChem (CID 10774848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).