N-[1-(2-methylpyrimidin-4-yl)ethyl]thietan-3-amine

C10H15N3S — CID 131047742

IUPACN-[1-(2-methylpyrimidin-4-yl)ethyl]thietan-3-amine
SMILESCc1nccc(C(C)NC2CSC2)n1
InChIInChI=1S/C10H15N3S/c1-7(12-9-5-14-6-9)10-3-4-11-8(2)13-10/h3-4,7,9,12H,5-6H2,1-2H3
InChIKeyQDGLRVHGOFQQRJ-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.55
Rot. Bonds3

About N-[1-(2-methylpyrimidin-4-yl)ethyl]thietan-3-amine

N-[1-(2-methylpyrimidin-4-yl)ethyl]thietan-3-amine (PubChem CID 131047742) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is N-[1-(2-methylpyrimidin-4-yl)ethyl]thietan-3-amine.

Molecular Properties

Compound NameN-[1-(2-methylpyrimidin-4-yl)ethyl]thietan-3-amine
PubChem CID131047742
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC NameN-[1-(2-methylpyrimidin-4-yl)ethyl]thietan-3-amine
SMILESCc1nccc(C(C)NC2CSC2)n1
InChIInChI=1S/C10H15N3S/c1-7(12-9-5-14-6-9)10-3-4-11-8(2)13-10/h3-4,7,9,12H,5-6H2,1-2H3
InChIKeyQDGLRVHGOFQQRJ-UHFFFAOYSA-N
XLogP1.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thietan-3-amine
CID 130610885
N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]thietan-3-amine
CID 130621345
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thietan-3-amine
CID 127001473
N-methyl-3-(2-methylpyrimidin-4-yl)butan-2-amine
CID 63199936
2-chloro-N-[1-(2-methylpyrimidin-4-yl)ethyl]acetamide
CID 146094635
4-(3-chlorobutan-2-yl)-2-methylpyrimidine
CID 63203304
2-(2-methylpyrimidin-4-yl)propanenitrile
CID 83845483
4-methyl-3-(2-methylpyrimidin-4-yl)pentan-2-ol
CID 63200606
(3R)-N-[(1S)-1-(5-bromo-2-pyridinyl)ethyl]thiolan-3-amine
CID 125139910
(3R)-N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]thiolan-3-amine
CID 125139908
N-[cycloheptyl-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 82932311
2,3-dihydro-1H-indol-2-yl-(2-methylpyrimidin-4-yl)methanol
CID 115527971

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpyrimidin-4-yl)ethyl]thietan-3-amine?
The IUPAC name of N-[1-(2-methylpyrimidin-4-yl)ethyl]thietan-3-amine (CID 131047742) is N-[1-(2-methylpyrimidin-4-yl)ethyl]thietan-3-amine.
What is the SMILES notation for N-[1-(2-methylpyrimidin-4-yl)ethyl]thietan-3-amine?
The canonical SMILES for N-[1-(2-methylpyrimidin-4-yl)ethyl]thietan-3-amine is Cc1nccc(C(C)NC2CSC2)n1.
What is the InChIKey of N-[1-(2-methylpyrimidin-4-yl)ethyl]thietan-3-amine?
The InChIKey is QDGLRVHGOFQQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-7(12-9-5-14-6-9)10-3-4-11-8(2)13-10/h3-4,7,9,12H,5-6H2,1-2H3.
What are the key properties of N-[1-(2-methylpyrimidin-4-yl)ethyl]thietan-3-amine?
N-[1-(2-methylpyrimidin-4-yl)ethyl]thietan-3-amine has a molecular weight of 209.32 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpyrimidin-4-yl)ethyl]thietan-3-amine is sourced from PubChem (CID 131047742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).