6-(3-aminocyclobutyl)-N-[2-(3-methylthiophen-2-yl)ethyl]pyrimidin-4-amine

C15H20N4S — CID 91776977

IUPAC6-(3-aminocyclobutyl)-N-[2-(3-methylthiophen-2-yl)ethyl]pyrimidin-4-amine
SMILESCc1ccsc1CCNc1cc(C2CC(N)C2)ncn1
InChIInChI=1S/C15H20N4S/c1-10-3-5-20-14(10)2-4-17-15-8-13(18-9-19-15)11-6-12(16)7-11/h3,5,8-9,11-12H,2,4,6-7,16H2,1H3,(H,17,18,19)
InChIKeyWPGBYBLHXFDSDN-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.71
Rot. Bonds5

About 6-(3-aminocyclobutyl)-N-[2-(3-methylthiophen-2-yl)ethyl]pyrimidin-4-amine

6-(3-aminocyclobutyl)-N-[2-(3-methylthiophen-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 91776977) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-[2-(3-methylthiophen-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-[2-(3-methylthiophen-2-yl)ethyl]pyrimidin-4-amine
PubChem CID91776977
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name6-(3-aminocyclobutyl)-N-[2-(3-methylthiophen-2-yl)ethyl]pyrimidin-4-amine
SMILESCc1ccsc1CCNc1cc(C2CC(N)C2)ncn1
InChIInChI=1S/C15H20N4S/c1-10-3-5-20-14(10)2-4-17-15-8-13(18-9-19-15)11-6-12(16)7-11/h3,5,8-9,11-12H,2,4,6-7,16H2,1H3,(H,17,18,19)
InChIKeyWPGBYBLHXFDSDN-UHFFFAOYSA-N
XLogP2.71
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrrolidine-constrained phenethylamine 29b
CID 23647105
2-(4-Methyl-1-piperazinyl)-4-(3-thienyl)pyrimidine
CID 10753846
N-(3-methylphenyl)-4-thiophen-2-ylpyrimidin-2-amine
CID 14347006
1-(6-Thiophen-3-ylpyrimidin-4-yl)-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 44440645
4-N-benzyl-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine
CID 49789564
2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 3233723
N-[3-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide
CID 3233788
2-[4-(dimethylamino)phenyl]-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 3233958
5-[4-(dimethylamino)phenyl]-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 3234513
3-[6-(Thiophen-2-ylmethylamino)pyrimidin-4-yl]benzonitrile
CID 3234840
N-(thiophen-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 3235279
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-thiophen-2-ylpyrimidin-2-amine
CID 44325063

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-[2-(3-methylthiophen-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-N-[2-(3-methylthiophen-2-yl)ethyl]pyrimidin-4-amine (CID 91776977) is 6-(3-aminocyclobutyl)-N-[2-(3-methylthiophen-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-[2-(3-methylthiophen-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-[2-(3-methylthiophen-2-yl)ethyl]pyrimidin-4-amine is Cc1ccsc1CCNc1cc(C2CC(N)C2)ncn1.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-[2-(3-methylthiophen-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is WPGBYBLHXFDSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-10-3-5-20-14(10)2-4-17-15-8-13(18-9-19-15)11-6-12(16)7-11/h3,5,8-9,11-12H,2,4,6-7,16H2,1H3,(H,17,18,19).
What are the key properties of 6-(3-aminocyclobutyl)-N-[2-(3-methylthiophen-2-yl)ethyl]pyrimidin-4-amine?
6-(3-aminocyclobutyl)-N-[2-(3-methylthiophen-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 288.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-[2-(3-methylthiophen-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 91776977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).