4-N-(2,2-dimethoxyethyl)-6-N,2-dimethylpyrimidine-4,6-diamine

C10H18N4O2 — CID 121206030

IUPAC4-N-(2,2-dimethoxyethyl)-6-N,2-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(NCC(OC)OC)nc(C)n1
InChIInChI=1S/C10H18N4O2/c1-7-13-8(11-2)5-9(14-7)12-6-10(15-3)16-4/h5,10H,6H2,1-4H3,(H2,11,12,13,14)
InChIKeyMQSRQJXLFWNNQY-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.86
Rot. Bonds6

About 4-N-(2,2-dimethoxyethyl)-6-N,2-dimethylpyrimidine-4,6-diamine

4-N-(2,2-dimethoxyethyl)-6-N,2-dimethylpyrimidine-4,6-diamine (PubChem CID 121206030) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-N-(2,2-dimethoxyethyl)-6-N,2-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,2-dimethoxyethyl)-6-N,2-dimethylpyrimidine-4,6-diamine
PubChem CID121206030
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name4-N-(2,2-dimethoxyethyl)-6-N,2-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(NCC(OC)OC)nc(C)n1
InChIInChI=1S/C10H18N4O2/c1-7-13-8(11-2)5-9(14-7)12-6-10(15-3)16-4/h5,10H,6H2,1-4H3,(H2,11,12,13,14)
InChIKeyMQSRQJXLFWNNQY-UHFFFAOYSA-N
XLogP0.86
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethoxyethyl)-6-N,2-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,2-dimethoxyethyl)-6-N,2-dimethylpyrimidine-4,6-diamine (CID 121206030) is 4-N-(2,2-dimethoxyethyl)-6-N,2-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,2-dimethoxyethyl)-6-N,2-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,2-dimethoxyethyl)-6-N,2-dimethylpyrimidine-4,6-diamine is CNc1cc(NCC(OC)OC)nc(C)n1.
What is the InChIKey of 4-N-(2,2-dimethoxyethyl)-6-N,2-dimethylpyrimidine-4,6-diamine?
The InChIKey is MQSRQJXLFWNNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-7-13-8(11-2)5-9(14-7)12-6-10(15-3)16-4/h5,10H,6H2,1-4H3,(H2,11,12,13,14).
What are the key properties of 4-N-(2,2-dimethoxyethyl)-6-N,2-dimethylpyrimidine-4,6-diamine?
4-N-(2,2-dimethoxyethyl)-6-N,2-dimethylpyrimidine-4,6-diamine has a molecular weight of 226.28 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethoxyethyl)-6-N,2-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 121206030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).