N-propyl-2-pyrimidin-4-ylsulfanylcycloheptan-1-amine

C14H23N3S — CID 64628658

IUPACN-propyl-2-pyrimidin-4-ylsulfanylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1Sc1ccncn1
InChIInChI=1S/C14H23N3S/c1-2-9-16-12-6-4-3-5-7-13(12)18-14-8-10-15-11-17-14/h8,10-13,16H,2-7,9H2,1H3
InChIKeyIKKZZMGVXXQWRW-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.27
Rot. Bonds5

About N-propyl-2-pyrimidin-4-ylsulfanylcycloheptan-1-amine

N-propyl-2-pyrimidin-4-ylsulfanylcycloheptan-1-amine (PubChem CID 64628658) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is N-propyl-2-pyrimidin-4-ylsulfanylcycloheptan-1-amine.

Molecular Properties

Compound NameN-propyl-2-pyrimidin-4-ylsulfanylcycloheptan-1-amine
PubChem CID64628658
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC NameN-propyl-2-pyrimidin-4-ylsulfanylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1Sc1ccncn1
InChIInChI=1S/C14H23N3S/c1-2-9-16-12-6-4-3-5-7-13(12)18-14-8-10-15-11-17-14/h8,10-13,16H,2-7,9H2,1H3
InChIKeyIKKZZMGVXXQWRW-UHFFFAOYSA-N
XLogP3.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-propyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine
CID 64627044
2-pyrimidin-4-ylsulfanylcycloheptan-1-amine
CID 64626439
2-(1-methylimidazol-2-yl)sulfanyl-N-propylcyclooctan-1-amine
CID 64622142
N-ethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
CID 64649496
2-(2,5-difluorophenyl)sulfanyl-N-propylcyclooctan-1-amine
CID 64648677
N-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclohexan-1-amine
CID 65041153
2-(2-bromophenyl)sulfanyl-N-propylcyclooctan-1-amine
CID 64614544
2-(4-methoxyphenyl)sulfanyl-N-propylcycloheptan-1-amine
CID 64621896
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-propylcyclopentan-1-amine
CID 64629057
2-phenylsulfanyl-N-propylcyclopentan-1-amine
CID 22486376
2-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64647989
2-(2,4-difluorophenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64613082

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-pyrimidin-4-ylsulfanylcycloheptan-1-amine?
The IUPAC name of N-propyl-2-pyrimidin-4-ylsulfanylcycloheptan-1-amine (CID 64628658) is N-propyl-2-pyrimidin-4-ylsulfanylcycloheptan-1-amine.
What is the SMILES notation for N-propyl-2-pyrimidin-4-ylsulfanylcycloheptan-1-amine?
The canonical SMILES for N-propyl-2-pyrimidin-4-ylsulfanylcycloheptan-1-amine is CCCNC1CCCCCC1Sc1ccncn1.
What is the InChIKey of N-propyl-2-pyrimidin-4-ylsulfanylcycloheptan-1-amine?
The InChIKey is IKKZZMGVXXQWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-2-9-16-12-6-4-3-5-7-13(12)18-14-8-10-15-11-17-14/h8,10-13,16H,2-7,9H2,1H3.
What are the key properties of N-propyl-2-pyrimidin-4-ylsulfanylcycloheptan-1-amine?
N-propyl-2-pyrimidin-4-ylsulfanylcycloheptan-1-amine has a molecular weight of 265.43 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-pyrimidin-4-ylsulfanylcycloheptan-1-amine is sourced from PubChem (CID 64628658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).