4,6-dimethoxy-2-N-[2-(methylamino)ethyl]pyrimidine-2,5-diamine

C9H17N5O2 — CID 20745773

IUPAC4,6-dimethoxy-2-N-[2-(methylamino)ethyl]pyrimidine-2,5-diamine
SMILESCNCCNc1nc(OC)c(N)c(OC)n1
InChIInChI=1S/C9H17N5O2/c1-11-4-5-12-9-13-7(15-2)6(10)8(14-9)16-3/h11H,4-5,10H2,1-3H3,(H,12,13,14)
InChIKeyFWMAQNXRPPADNX-UHFFFAOYSA-N
MW227.27 g/mol
LogP-0.29
Rot. Bonds6

About 4,6-dimethoxy-2-N-[2-(methylamino)ethyl]pyrimidine-2,5-diamine

4,6-dimethoxy-2-N-[2-(methylamino)ethyl]pyrimidine-2,5-diamine (PubChem CID 20745773) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 4,6-dimethoxy-2-N-[2-(methylamino)ethyl]pyrimidine-2,5-diamine.

Molecular Properties

Compound Name4,6-dimethoxy-2-N-[2-(methylamino)ethyl]pyrimidine-2,5-diamine
PubChem CID20745773
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name4,6-dimethoxy-2-N-[2-(methylamino)ethyl]pyrimidine-2,5-diamine
SMILESCNCCNc1nc(OC)c(N)c(OC)n1
InChIInChI=1S/C9H17N5O2/c1-11-4-5-12-9-13-7(15-2)6(10)8(14-9)16-3/h11H,4-5,10H2,1-3H3,(H,12,13,14)
InChIKeyFWMAQNXRPPADNX-UHFFFAOYSA-N
XLogP-0.29
TPSA94.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2-N-[2-(methylamino)ethyl]pyrimidine-2,5-diamine?
The IUPAC name of 4,6-dimethoxy-2-N-[2-(methylamino)ethyl]pyrimidine-2,5-diamine (CID 20745773) is 4,6-dimethoxy-2-N-[2-(methylamino)ethyl]pyrimidine-2,5-diamine.
What is the SMILES notation for 4,6-dimethoxy-2-N-[2-(methylamino)ethyl]pyrimidine-2,5-diamine?
The canonical SMILES for 4,6-dimethoxy-2-N-[2-(methylamino)ethyl]pyrimidine-2,5-diamine is CNCCNc1nc(OC)c(N)c(OC)n1.
What is the InChIKey of 4,6-dimethoxy-2-N-[2-(methylamino)ethyl]pyrimidine-2,5-diamine?
The InChIKey is FWMAQNXRPPADNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-11-4-5-12-9-13-7(15-2)6(10)8(14-9)16-3/h11H,4-5,10H2,1-3H3,(H,12,13,14).
What are the key properties of 4,6-dimethoxy-2-N-[2-(methylamino)ethyl]pyrimidine-2,5-diamine?
4,6-dimethoxy-2-N-[2-(methylamino)ethyl]pyrimidine-2,5-diamine has a molecular weight of 227.27 g/mol, XLogP of -0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-N-[2-(methylamino)ethyl]pyrimidine-2,5-diamine is sourced from PubChem (CID 20745773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).