2-[[cyclobutylmethyl(ethyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C16H24N4S — CID 107401404

IUPAC2-[[cyclobutylmethyl(ethyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCN(Cc1nc(N)c2c(C)c(C)sc2n1)CC1CCC1
InChIInChI=1S/C16H24N4S/c1-4-20(8-12-6-5-7-12)9-13-18-15(17)14-10(2)11(3)21-16(14)19-13/h12H,4-9H2,1-3H3,(H2,17,18,19)
InChIKeyPFGMUENBOUIHNY-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.51
Rot. Bonds5

About 2-[[cyclobutylmethyl(ethyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

2-[[cyclobutylmethyl(ethyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 107401404) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-[[cyclobutylmethyl(ethyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[cyclobutylmethyl(ethyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID107401404
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name2-[[cyclobutylmethyl(ethyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCN(Cc1nc(N)c2c(C)c(C)sc2n1)CC1CCC1
InChIInChI=1S/C16H24N4S/c1-4-20(8-12-6-5-7-12)9-13-18-15(17)14-10(2)11(3)21-16(14)19-13/h12H,4-9H2,1-3H3,(H2,17,18,19)
InChIKeyPFGMUENBOUIHNY-UHFFFAOYSA-N
XLogP3.51
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-(cyclobutylmethyl)ethanamine
CID 107398260
1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-ethylamino]-2-methylpropan-2-ol
CID 79379457
2-(cyclopentylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 60707023
N-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116652761
5,6-dimethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62182672
2-[[azetidin-3-yl(propyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 66215279
2-(chloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 9115252
2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485493
5,6-dimethyl-2-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 61025252
1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-ol
CID 60703002
5,6-dimethyl-2-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 61026333
2-cyclopentyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 61025320

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclobutylmethyl(ethyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[[cyclobutylmethyl(ethyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 107401404) is 2-[[cyclobutylmethyl(ethyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[[cyclobutylmethyl(ethyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[[cyclobutylmethyl(ethyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is CCN(Cc1nc(N)c2c(C)c(C)sc2n1)CC1CCC1.
What is the InChIKey of 2-[[cyclobutylmethyl(ethyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PFGMUENBOUIHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-4-20(8-12-6-5-7-12)9-13-18-15(17)14-10(2)11(3)21-16(14)19-13/h12H,4-9H2,1-3H3,(H2,17,18,19).
What are the key properties of 2-[[cyclobutylmethyl(ethyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-[[cyclobutylmethyl(ethyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 304.46 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclobutylmethyl(ethyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 107401404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).