N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

C15H20N4S — CID 115751080

IUPACN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCc1cnc(C(C)Nc2ncnc3c2CCCCC3)s1
InChIInChI=1S/C15H20N4S/c1-10-8-16-15(20-10)11(2)19-14-12-6-4-3-5-7-13(12)17-9-18-14/h8-9,11H,3-7H2,1-2H3,(H,17,18,19)
InChIKeyKXMZKGLTFMUFRP-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.68
Rot. Bonds3

About N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (PubChem CID 115751080) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
PubChem CID115751080
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC NameN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCc1cnc(C(C)Nc2ncnc3c2CCCCC3)s1
InChIInChI=1S/C15H20N4S/c1-10-8-16-15(20-10)11(2)19-14-12-6-4-3-5-7-13(12)17-9-18-14/h8-9,11H,3-7H2,1-2H3,(H,17,18,19)
InChIKeyKXMZKGLTFMUFRP-UHFFFAOYSA-N
XLogP3.68
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The IUPAC name of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (CID 115751080) is N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is Cc1cnc(C(C)Nc2ncnc3c2CCCCC3)s1.
What is the InChIKey of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The InChIKey is KXMZKGLTFMUFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-10-8-16-15(20-10)11(2)19-14-12-6-4-3-5-7-13(12)17-9-18-14/h8-9,11H,3-7H2,1-2H3,(H,17,18,19).
What are the key properties of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine has a molecular weight of 288.42 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is sourced from PubChem (CID 115751080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).