N-[[2-(thian-2-yl)pyrimidin-5-yl]methyl]ethanamine

C12H19N3S — CID 80636713

IUPACN-[[2-(thian-2-yl)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(C2CCCCS2)nc1
InChIInChI=1S/C12H19N3S/c1-2-13-7-10-8-14-12(15-9-10)11-5-3-4-6-16-11/h8-9,11,13H,2-7H2,1H3
InChIKeyHNADATBLAYWAKH-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.54
Rot. Bonds4

About N-[[2-(thian-2-yl)pyrimidin-5-yl]methyl]ethanamine

N-[[2-(thian-2-yl)pyrimidin-5-yl]methyl]ethanamine (PubChem CID 80636713) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is N-[[2-(thian-2-yl)pyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(thian-2-yl)pyrimidin-5-yl]methyl]ethanamine
PubChem CID80636713
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC NameN-[[2-(thian-2-yl)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(C2CCCCS2)nc1
InChIInChI=1S/C12H19N3S/c1-2-13-7-10-8-14-12(15-9-10)11-5-3-4-6-16-11/h8-9,11,13H,2-7H2,1H3
InChIKeyHNADATBLAYWAKH-UHFFFAOYSA-N
XLogP2.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[2-(thiolan-2-yl)pyrimidin-5-yl]methanamine
CID 80639223
N-[[2-(1,4-dithian-2-yl)pyrimidin-5-yl]methyl]ethanamine
CID 79966084
2-(thiolan-2-yl)pyrimidine-5-carbaldehyde
CID 80637912
ethyl 5-methyl-2-(thian-2-yl)pyrimidine-4-carboxylate
CID 114244925
4-propan-2-yl-2-(thian-2-yl)pyrimidine-5-carboxylic acid
CID 80638062
N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]ethanamine
CID 65405636
2-methyl-N-[[4-methyl-2-(thiolan-2-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 114206526
N-ethyl-5-(ethylaminomethyl)pyrimidin-2-amine
CID 102536247
N-[(6-cycloheptyloxy-3-pyridinyl)methyl]ethanamine
CID 62298054
2-cyclohexyl-5-propylpyrimidine
CID 57193046
4-chloro-5-iodo-2-(thian-2-yl)pyrimidine
CID 80623104
5-bromo-4-chloro-2-(thian-2-yl)pyrimidine
CID 80622982

Frequently Asked Questions

What is the IUPAC name of N-[[2-(thian-2-yl)pyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(thian-2-yl)pyrimidin-5-yl]methyl]ethanamine (CID 80636713) is N-[[2-(thian-2-yl)pyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(thian-2-yl)pyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(thian-2-yl)pyrimidin-5-yl]methyl]ethanamine is CCNCc1cnc(C2CCCCS2)nc1.
What is the InChIKey of N-[[2-(thian-2-yl)pyrimidin-5-yl]methyl]ethanamine?
The InChIKey is HNADATBLAYWAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-2-13-7-10-8-14-12(15-9-10)11-5-3-4-6-16-11/h8-9,11,13H,2-7H2,1H3.
What are the key properties of N-[[2-(thian-2-yl)pyrimidin-5-yl]methyl]ethanamine?
N-[[2-(thian-2-yl)pyrimidin-5-yl]methyl]ethanamine has a molecular weight of 237.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(thian-2-yl)pyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 80636713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).