2-(2,3-dihydro-1H-inden-2-yl)-4-(dimethoxymethyl)pyrimidine

C16H18N2O2 — CID 115531721

IUPAC2-(2,3-dihydro-1H-inden-2-yl)-4-(dimethoxymethyl)pyrimidine
SMILESCOC(OC)c1ccnc(C2Cc3ccccc3C2)n1
InChIInChI=1S/C16H18N2O2/c1-19-16(20-2)14-7-8-17-15(18-14)13-9-11-5-3-4-6-12(11)10-13/h3-8,13,16H,9-10H2,1-2H3
InChIKeyNVRNYWZROYSJQU-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.65
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-2-yl)-4-(dimethoxymethyl)pyrimidine

2-(2,3-dihydro-1H-inden-2-yl)-4-(dimethoxymethyl)pyrimidine (PubChem CID 115531721) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-4-(dimethoxymethyl)pyrimidine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-yl)-4-(dimethoxymethyl)pyrimidine
PubChem CID115531721
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)-4-(dimethoxymethyl)pyrimidine
SMILESCOC(OC)c1ccnc(C2Cc3ccccc3C2)n1
InChIInChI=1S/C16H18N2O2/c1-19-16(20-2)14-7-8-17-15(18-14)13-9-11-5-3-4-6-12(11)10-13/h3-8,13,16H,9-10H2,1-2H3
InChIKeyNVRNYWZROYSJQU-UHFFFAOYSA-N
XLogP2.65
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.65
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

2-cyclohexyl-4-(dimethoxymethyl)pyrimidine
CID 115531674
3-[4-(dimethoxymethyl)pyrimidin-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane
CID 115998463
4-(dimethoxymethyl)-2-(1-methoxyethyl)pyrimidine
CID 115531727
N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]ethanamine
CID 65403880
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(dimethoxymethyl)-1,3-thiazole
CID 66054959
5-(1-chloroethyl)-3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazole
CID 65415290
4-(dimethoxymethyl)-2-(1-methoxycyclobutyl)pyrimidine
CID 116731031
2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine
CID 68856082
4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)pyrimidine
CID 116778439
N-propyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine
CID 65403467
2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66301791
3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine
CID 103157766

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-4-(dimethoxymethyl)pyrimidine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-4-(dimethoxymethyl)pyrimidine (CID 115531721) is 2-(2,3-dihydro-1H-inden-2-yl)-4-(dimethoxymethyl)pyrimidine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)-4-(dimethoxymethyl)pyrimidine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)-4-(dimethoxymethyl)pyrimidine is COC(OC)c1ccnc(C2Cc3ccccc3C2)n1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-4-(dimethoxymethyl)pyrimidine?
The InChIKey is NVRNYWZROYSJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-19-16(20-2)14-7-8-17-15(18-14)13-9-11-5-3-4-6-12(11)10-13/h3-8,13,16H,9-10H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)-4-(dimethoxymethyl)pyrimidine?
2-(2,3-dihydro-1H-inden-2-yl)-4-(dimethoxymethyl)pyrimidine has a molecular weight of 270.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-yl)-4-(dimethoxymethyl)pyrimidine is sourced from PubChem (CID 115531721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).