5-(ethylaminomethyl)-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine

C12H20N4S — CID 114215986

IUPAC5-(ethylaminomethyl)-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine
SMILESCCNCc1cncnc1N(C)C1CCSC1
InChIInChI=1S/C12H20N4S/c1-3-13-6-10-7-14-9-15-12(10)16(2)11-4-5-17-8-11/h7,9,11,13H,3-6,8H2,1-2H3
InChIKeyPRZXNLITWFLCCJ-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.53
Rot. Bonds5

About 5-(ethylaminomethyl)-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine

5-(ethylaminomethyl)-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine (PubChem CID 114215986) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine
PubChem CID114215986
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name5-(ethylaminomethyl)-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine
SMILESCCNCc1cncnc1N(C)C1CCSC1
InChIInChI=1S/C12H20N4S/c1-3-13-6-10-7-14-9-15-12(10)16(2)11-4-5-17-8-11/h7,9,11,13H,3-6,8H2,1-2H3
InChIKeyPRZXNLITWFLCCJ-UHFFFAOYSA-N
XLogP1.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylaminomethyl)-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine
CID 114216043
4-(ethylaminomethyl)-N-methyl-N-(thiolan-3-yl)isoquinolin-1-amine
CID 106775170
N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methylthiolan-3-amine
CID 55074886
6-chloro-N-methyl-5-propyl-N-(thiolan-3-yl)pyrimidin-4-amine
CID 55230830
4-N-methyl-6-N,5-dipropyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
CID 80784672
4-(ethylaminomethyl)-N-methyl-N-(thiolan-3-yl)quinolin-2-amine
CID 62279217
[4-[cyclobutyl(methyl)amino]pyrimidin-5-yl]methanol
CID 126974271
5-(ethylaminomethyl)-N-methyl-N-pentan-2-ylpyrimidin-4-amine
CID 114216039
N-methyl-4-(methylaminomethyl)-N-(thiolan-3-yl)isoquinolin-1-amine
CID 106775168
N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyrimidin-4-amine
CID 114216274
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylthiolan-3-amine
CID 62421855
N-methyl-5-(methylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine
CID 62751271

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine?
The IUPAC name of 5-(ethylaminomethyl)-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine (CID 114215986) is 5-(ethylaminomethyl)-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 5-(ethylaminomethyl)-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine is CCNCc1cncnc1N(C)C1CCSC1.
What is the InChIKey of 5-(ethylaminomethyl)-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine?
The InChIKey is PRZXNLITWFLCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-3-13-6-10-7-14-9-15-12(10)16(2)11-4-5-17-8-11/h7,9,11,13H,3-6,8H2,1-2H3.
What are the key properties of 5-(ethylaminomethyl)-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine?
5-(ethylaminomethyl)-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine has a molecular weight of 252.39 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 114215986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).