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

C9H15N5O2 — CID 10561164

IUPACN-[4-methoxy-2,6-bis(methylamino)pyrimidin-5-yl]-N-methylformamide
SMILESCNc1nc(NC)c(N(C)C=O)c(OC)n1
InChIInChI=1S/C9H15N5O2/c1-10-7-6(14(3)5-15)8(16-4)13-9(11-2)12-7/h5H,1-4H3,(H2,10,11,12,13)
InChIKeyAYPVLECRVLOFKA-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.16
Rot. Bonds5

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

N-[4-methoxy-2,6-bis(methylamino)pyrimidin-5-yl]-N-methylformamide (PubChem CID 10561164) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-[4-methoxy-2,6-bis(methylamino)pyrimidin-5-yl]-N-methylformamide.

Molecular Properties

Compound NameN-[4-methoxy-2,6-bis(methylamino)pyrimidin-5-yl]-N-methylformamide
PubChem CID10561164
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC NameN-[4-methoxy-2,6-bis(methylamino)pyrimidin-5-yl]-N-methylformamide
SMILESCNc1nc(NC)c(N(C)C=O)c(OC)n1
InChIInChI=1S/C9H15N5O2/c1-10-7-6(14(3)5-15)8(16-4)13-9(11-2)12-7/h5H,1-4H3,(H2,10,11,12,13)
InChIKeyAYPVLECRVLOFKA-UHFFFAOYSA-N
XLogP0.16
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.16
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-[4-methoxy-2,6-bis(methylamino)pyrimidin-5-yl]-N-methylformamide?
The IUPAC name of N-[4-methoxy-2,6-bis(methylamino)pyrimidin-5-yl]-N-methylformamide (CID 10561164) is N-[4-methoxy-2,6-bis(methylamino)pyrimidin-5-yl]-N-methylformamide.
What is the SMILES notation for N-[4-methoxy-2,6-bis(methylamino)pyrimidin-5-yl]-N-methylformamide?
The canonical SMILES for N-[4-methoxy-2,6-bis(methylamino)pyrimidin-5-yl]-N-methylformamide is CNc1nc(NC)c(N(C)C=O)c(OC)n1.
What is the InChIKey of N-[4-methoxy-2,6-bis(methylamino)pyrimidin-5-yl]-N-methylformamide?
The InChIKey is AYPVLECRVLOFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-10-7-6(14(3)5-15)8(16-4)13-9(11-2)12-7/h5H,1-4H3,(H2,10,11,12,13).
What are the key properties of N-[4-methoxy-2,6-bis(methylamino)pyrimidin-5-yl]-N-methylformamide?
N-[4-methoxy-2,6-bis(methylamino)pyrimidin-5-yl]-N-methylformamide has a molecular weight of 225.25 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-2,6-bis(methylamino)pyrimidin-5-yl]-N-methylformamide is sourced from PubChem (CID 10561164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).