N-(1-methylsulfanylpiperidin-4-yl)-8-pyrrolidin-1-ylquinazolin-2-amine

C18H25N5S — CID 170740161

IUPACN-(1-methylsulfanylpiperidin-4-yl)-8-pyrrolidin-1-ylquinazolin-2-amine
SMILESCSN1CCC(Nc2ncc3cccc(N4CCCC4)c3n2)CC1
InChIInChI=1S/C18H25N5S/c1-24-23-11-7-15(8-12-23)20-18-19-13-14-5-4-6-16(17(14)21-18)22-9-2-3-10-22/h4-6,13,15H,2-3,7-12H2,1H3,(H,19,20,21)
InChIKeyZLDCVUKPKMVLQC-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.38
Rot. Bonds4

About N-(1-methylsulfanylpiperidin-4-yl)-8-pyrrolidin-1-ylquinazolin-2-amine

N-(1-methylsulfanylpiperidin-4-yl)-8-pyrrolidin-1-ylquinazolin-2-amine (PubChem CID 170740161) has the molecular formula C18H25N5S and a molecular weight of 343.50 g/mol. Its IUPAC name is N-(1-methylsulfanylpiperidin-4-yl)-8-pyrrolidin-1-ylquinazolin-2-amine.

Molecular Properties

Compound NameN-(1-methylsulfanylpiperidin-4-yl)-8-pyrrolidin-1-ylquinazolin-2-amine
PubChem CID170740161
Molecular FormulaC18H25N5S
Molecular Weight343.50 g/mol
Exact Mass343.18
IUPAC NameN-(1-methylsulfanylpiperidin-4-yl)-8-pyrrolidin-1-ylquinazolin-2-amine
SMILESCSN1CCC(Nc2ncc3cccc(N4CCCC4)c3n2)CC1
InChIInChI=1S/C18H25N5S/c1-24-23-11-7-15(8-12-23)20-18-19-13-14-5-4-6-16(17(14)21-18)22-9-2-3-10-22/h4-6,13,15H,2-3,7-12H2,1H3,(H,19,20,21)
InChIKeyZLDCVUKPKMVLQC-UHFFFAOYSA-N
XLogP3.38
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-(4-cyclopropylpiperazin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine
CID 170740243
8-[3-(azetidin-1-yl)pyrrolidin-1-yl]-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine
CID 170740084
N-(1-methylsulfonylpiperidin-4-yl)-8-[(1R,5S)-6-oxa-3-azabicyclo[3.1.1]heptan-3-yl]quinazolin-2-amine
CID 170739896
N-(1-methylsulfonylpiperidin-4-yl)-8-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)quinazolin-2-amine
CID 170740105
2-[2-[(1-methylsulfonylpiperidin-4-yl)amino]quinazolin-8-yl]-2-azaspiro[3.3]heptan-6-ol
CID 170739922
8-pyrrolidin-1-ylquinazoline
CID 66725106
4-fluorocyclohexan-1-ol;2-[(1-methylsulfanylpiperidin-4-yl)amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 142289513
1-N-methyl-4-N-(7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)cyclohexane-1,4-diamine
CID 144857747
8-(8,8-difluoro-6-azaspiro[3.4]octan-2-yl)-6-methyl-N-(1-methylsulfanylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 177186241
N-(1-acetylpiperidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide
CID 58082546
2-[2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]acetamide
CID 142289495
N-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-2-amine
CID 175728686

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfanylpiperidin-4-yl)-8-pyrrolidin-1-ylquinazolin-2-amine?
The IUPAC name of N-(1-methylsulfanylpiperidin-4-yl)-8-pyrrolidin-1-ylquinazolin-2-amine (CID 170740161) is N-(1-methylsulfanylpiperidin-4-yl)-8-pyrrolidin-1-ylquinazolin-2-amine.
What is the SMILES notation for N-(1-methylsulfanylpiperidin-4-yl)-8-pyrrolidin-1-ylquinazolin-2-amine?
The canonical SMILES for N-(1-methylsulfanylpiperidin-4-yl)-8-pyrrolidin-1-ylquinazolin-2-amine is CSN1CCC(Nc2ncc3cccc(N4CCCC4)c3n2)CC1.
What is the InChIKey of N-(1-methylsulfanylpiperidin-4-yl)-8-pyrrolidin-1-ylquinazolin-2-amine?
The InChIKey is ZLDCVUKPKMVLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5S/c1-24-23-11-7-15(8-12-23)20-18-19-13-14-5-4-6-16(17(14)21-18)22-9-2-3-10-22/h4-6,13,15H,2-3,7-12H2,1H3,(H,19,20,21).
What are the key properties of N-(1-methylsulfanylpiperidin-4-yl)-8-pyrrolidin-1-ylquinazolin-2-amine?
N-(1-methylsulfanylpiperidin-4-yl)-8-pyrrolidin-1-ylquinazolin-2-amine has a molecular weight of 343.50 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfanylpiperidin-4-yl)-8-pyrrolidin-1-ylquinazolin-2-amine is sourced from PubChem (CID 170740161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).