N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinazolin-4-amine

C14H17N3O2S — CID 133344209

IUPACN-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinazolin-4-amine
SMILESCS(=O)(=O)CC1(CNc2ncnc3ccccc23)CC1
InChIInChI=1S/C14H17N3O2S/c1-20(18,19)9-14(6-7-14)8-15-13-11-4-2-3-5-12(11)16-10-17-13/h2-5,10H,6-9H2,1H3,(H,15,16,17)
InChIKeyASTSVLBKHFCREM-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.87
Rot. Bonds5

About N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinazolin-4-amine

N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinazolin-4-amine (PubChem CID 133344209) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinazolin-4-amine
PubChem CID133344209
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinazolin-4-amine
SMILESCS(=O)(=O)CC1(CNc2ncnc3ccccc23)CC1
InChIInChI=1S/C14H17N3O2S/c1-20(18,19)9-14(6-7-14)8-15-13-11-4-2-3-5-12(11)16-10-17-13/h2-5,10H,6-9H2,1H3,(H,15,16,17)
InChIKeyASTSVLBKHFCREM-UHFFFAOYSA-N
XLogP1.87
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinoxalin-2-amine
CID 75385744
N-[(1-methylcyclopentyl)methyl]quinazolin-4-amine
CID 55261394
N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 133344251
2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinolin-4-amine
CID 75430530
6-(4-chlorophenyl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]thieno[3,2-d]pyrimidin-4-amine
CID 133344290
N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine
CID 133386758
N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 133344205
N-[4-[4-(methylsulfonylmethyl)phenyl]but-3-ynyl]quinazolin-4-amine
CID 146918873
4-[[1-(hydroxymethyl)cyclopropyl]methylamino]quinazoline-7-carboxylic acid
CID 115455108
5,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133344239
2-methyl-4-(quinazolin-4-ylamino)butanoic acid
CID 80539709
N-propyl-2-(quinazolin-4-ylamino)acetamide
CID 39165546

Frequently Asked Questions

What is the IUPAC name of N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinazolin-4-amine?
The IUPAC name of N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinazolin-4-amine (CID 133344209) is N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinazolin-4-amine.
What is the SMILES notation for N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinazolin-4-amine?
The canonical SMILES for N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinazolin-4-amine is CS(=O)(=O)CC1(CNc2ncnc3ccccc23)CC1.
What is the InChIKey of N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinazolin-4-amine?
The InChIKey is ASTSVLBKHFCREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-20(18,19)9-14(6-7-14)8-15-13-11-4-2-3-5-12(11)16-10-17-13/h2-5,10H,6-9H2,1H3,(H,15,16,17).
What are the key properties of N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinazolin-4-amine?
N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinazolin-4-amine has a molecular weight of 291.38 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinazolin-4-amine is sourced from PubChem (CID 133344209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).