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

C10H17N5O2 — CID 10610035

IUPACN-[2-(dimethylamino)-4-methoxy-6-(methylamino)pyrimidin-5-yl]-N-methylformamide
SMILESCNc1nc(N(C)C)nc(OC)c1N(C)C=O
InChIInChI=1S/C10H17N5O2/c1-11-8-7(15(4)6-16)9(17-5)13-10(12-8)14(2)3/h6H,1-5H3,(H,11,12,13)
InChIKeyCAUDDOZPGLIALF-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.19
Rot. Bonds5

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

N-[2-(dimethylamino)-4-methoxy-6-(methylamino)pyrimidin-5-yl]-N-methylformamide (PubChem CID 10610035) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[2-(dimethylamino)-4-methoxy-6-(methylamino)pyrimidin-5-yl]-N-methylformamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-4-methoxy-6-(methylamino)pyrimidin-5-yl]-N-methylformamide
PubChem CID10610035
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-[2-(dimethylamino)-4-methoxy-6-(methylamino)pyrimidin-5-yl]-N-methylformamide
SMILESCNc1nc(N(C)C)nc(OC)c1N(C)C=O
InChIInChI=1S/C10H17N5O2/c1-11-8-7(15(4)6-16)9(17-5)13-10(12-8)14(2)3/h6H,1-5H3,(H,11,12,13)
InChIKeyCAUDDOZPGLIALF-UHFFFAOYSA-N
XLogP0.19
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.19
H-Bond Donors ≤ 51
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-(dimethylamino)-4-methoxy-6-(methylamino)pyrimidin-5-yl]-N-methylformamide?
The IUPAC name of N-[2-(dimethylamino)-4-methoxy-6-(methylamino)pyrimidin-5-yl]-N-methylformamide (CID 10610035) is N-[2-(dimethylamino)-4-methoxy-6-(methylamino)pyrimidin-5-yl]-N-methylformamide.
What is the SMILES notation for N-[2-(dimethylamino)-4-methoxy-6-(methylamino)pyrimidin-5-yl]-N-methylformamide?
The canonical SMILES for N-[2-(dimethylamino)-4-methoxy-6-(methylamino)pyrimidin-5-yl]-N-methylformamide is CNc1nc(N(C)C)nc(OC)c1N(C)C=O.
What is the InChIKey of N-[2-(dimethylamino)-4-methoxy-6-(methylamino)pyrimidin-5-yl]-N-methylformamide?
The InChIKey is CAUDDOZPGLIALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-11-8-7(15(4)6-16)9(17-5)13-10(12-8)14(2)3/h6H,1-5H3,(H,11,12,13).
What are the key properties of N-[2-(dimethylamino)-4-methoxy-6-(methylamino)pyrimidin-5-yl]-N-methylformamide?
N-[2-(dimethylamino)-4-methoxy-6-(methylamino)pyrimidin-5-yl]-N-methylformamide has a molecular weight of 239.28 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-4-methoxy-6-(methylamino)pyrimidin-5-yl]-N-methylformamide is sourced from PubChem (CID 10610035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).