4-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-N-methylpyrimidine-4,6-diamine

C12H20N4O — CID 114121036

IUPAC4-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NC2CC(OC)C2(C)C)ncn1
InChIInChI=1S/C12H20N4O/c1-12(2)8(5-9(12)17-4)16-11-6-10(13-3)14-7-15-11/h6-9H,5H2,1-4H3,(H2,13,14,15,16)
InChIKeyWOHFXSVCNIIIJM-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.74
Rot. Bonds4

About 4-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-N-methylpyrimidine-4,6-diamine

4-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 114121036) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID114121036
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NC2CC(OC)C2(C)C)ncn1
InChIInChI=1S/C12H20N4O/c1-12(2)8(5-9(12)17-4)16-11-6-10(13-3)14-7-15-11/h6-9H,5H2,1-4H3,(H2,13,14,15,16)
InChIKeyWOHFXSVCNIIIJM-UHFFFAOYSA-N
XLogP1.74
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-N-methylpyrimidine-4,6-diamine (CID 114121036) is 4-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-N-methylpyrimidine-4,6-diamine is CNc1cc(NC2CC(OC)C2(C)C)ncn1.
What is the InChIKey of 4-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is WOHFXSVCNIIIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-12(2)8(5-9(12)17-4)16-11-6-10(13-3)14-7-15-11/h6-9H,5H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 4-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-N-methylpyrimidine-4,6-diamine?
4-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 114121036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).