4-(dimethoxymethyl)-2-propan-2-ylpyrimidine

C10H16N2O2 — CID 91691095

IUPAC4-(dimethoxymethyl)-2-propan-2-ylpyrimidine
SMILESCOC(OC)c1ccnc(C(C)C)n1
InChIInChI=1S/C10H16N2O2/c1-7(2)9-11-6-5-8(12-9)10(13-3)14-4/h5-7,10H,1-4H3
InChIKeyFYOCNHQRCHITOA-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.89
Rot. Bonds4

About 4-(dimethoxymethyl)-2-propan-2-ylpyrimidine

4-(dimethoxymethyl)-2-propan-2-ylpyrimidine (PubChem CID 91691095) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-propan-2-ylpyrimidine
PubChem CID91691095
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-(dimethoxymethyl)-2-propan-2-ylpyrimidine
SMILESCOC(OC)c1ccnc(C(C)C)n1
InChIInChI=1S/C10H16N2O2/c1-7(2)9-11-6-5-8(12-9)10(13-3)14-4/h5-7,10H,1-4H3
InChIKeyFYOCNHQRCHITOA-UHFFFAOYSA-N
XLogP1.89
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(Dimethoxymethyl)pyrimidin-2-amine
CID 4913032
4-(Dimethoxymethyl)-2-(methylsulfanyl)pyrimidine
CID 15407007
4-(methoxymethyl)-N,N-dimethylpyrimidin-2-amine
CID 10630914
4-(Dimethoxymethyl)-2-methylpyrimidine
CID 2799572
2-Cyclopropyl-4-(dimethoxymethyl)pyrimidine
CID 17750124
4-(Dimethoxymethyl)-2-(trifluoromethyl)pyrimidine
CID 17750125
2-Methyl-4-pyrimidinemethanol
CID 21557330
2-Chloro-4-(methoxymethyl)pyrimidine
CID 53385539
(2-(2-Methoxyethyl)pyrimidin-4-yl)methanol
CID 62748844
4-(Dimethoxymethyl)-2-ethylpyrimidine
CID 115531690
4-(Methoxymethyl)-2-methylsulfanylpyrimidine
CID 10241230
(2-(2-Methoxypropan-2-yl)pyrimidin-4-yl)methanol
CID 79198542

Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-2-propan-2-ylpyrimidine?
The IUPAC name of 4-(dimethoxymethyl)-2-propan-2-ylpyrimidine (CID 91691095) is 4-(dimethoxymethyl)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-(dimethoxymethyl)-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-(dimethoxymethyl)-2-propan-2-ylpyrimidine is COC(OC)c1ccnc(C(C)C)n1.
What is the InChIKey of 4-(dimethoxymethyl)-2-propan-2-ylpyrimidine?
The InChIKey is FYOCNHQRCHITOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7(2)9-11-6-5-8(12-9)10(13-3)14-4/h5-7,10H,1-4H3.
What are the key properties of 4-(dimethoxymethyl)-2-propan-2-ylpyrimidine?
4-(dimethoxymethyl)-2-propan-2-ylpyrimidine has a molecular weight of 196.25 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 91691095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).