N-butyl-2-ethyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine;N-cyclobutyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine

C27H38N6S2 — CID 165100393

IUPACN-butyl-2-ethyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine;N-cyclobutyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCCN(C)c1nc(CC)nc2sc(C)cc12.CCc1nc(NC2CCC2)c2cc(C)sc2n1
InChIInChI=1S/C14H21N3S.C13H17N3S/c1-5-7-8-17(4)13-11-9-10(3)18-14(11)16-12(6-2)15-13;1-3-11-15-12(14-9-5-4-6-9)10-7-8(2)17-13(10)16-11/h9H,5-8H2,1-4H3;7,9H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyYFMHGNIUVGCPRI-UHFFFAOYSA-N
MW510.78 g/mol
LogP7.32
Rot. Bonds8

About N-butyl-2-ethyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine;N-cyclobutyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine

N-butyl-2-ethyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine;N-cyclobutyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 165100393) has the molecular formula C27H38N6S2 and a molecular weight of 510.78 g/mol. Its IUPAC name is N-butyl-2-ethyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine;N-cyclobutyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-2-ethyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine;N-cyclobutyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID165100393
Molecular FormulaC27H38N6S2
Molecular Weight510.78 g/mol
Exact Mass510.26
IUPAC NameN-butyl-2-ethyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine;N-cyclobutyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCCN(C)c1nc(CC)nc2sc(C)cc12.CCc1nc(NC2CCC2)c2cc(C)sc2n1
InChIInChI=1S/C14H21N3S.C13H17N3S/c1-5-7-8-17(4)13-11-9-10(3)18-14(11)16-12(6-2)15-13;1-3-11-15-12(14-9-5-4-6-9)10-7-8(2)17-13(10)16-11/h9H,5-8H2,1-4H3;7,9H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyYFMHGNIUVGCPRI-UHFFFAOYSA-N
XLogP7.32
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.78
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-butyl-2-ethyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine;N-cyclobutyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-cyclobutyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 137431964
6-chloro-N-cyclopropyl-2-ethylthieno[2,3-d]pyrimidin-4-amine
CID 137431990
2-N,6-dimethyl-4-N-(3-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324733
4-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324624
4-N-cyclopropyl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324095
N-butyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103334096
4-N-cyclobutyl-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327219
N-butyl-4-chloro-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 82309246
2-chloro-N-(cyclobutylmethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 103321547
2-ethyl-N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 133423723
4-N-(cyclopropylmethyl)-4-N,6-dimethyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325410
N-[2-(cyclopropylmethoxy)ethyl]-2-hydrazinyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 103334678

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-ethyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine;N-cyclobutyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-butyl-2-ethyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine;N-cyclobutyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 165100393) is N-butyl-2-ethyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine;N-cyclobutyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-butyl-2-ethyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine;N-cyclobutyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-butyl-2-ethyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine;N-cyclobutyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine is CCCCN(C)c1nc(CC)nc2sc(C)cc12.CCc1nc(NC2CCC2)c2cc(C)sc2n1.
What is the InChIKey of N-butyl-2-ethyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine;N-cyclobutyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YFMHGNIUVGCPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S.C13H17N3S/c1-5-7-8-17(4)13-11-9-10(3)18-14(11)16-12(6-2)15-13;1-3-11-15-12(14-9-5-4-6-9)10-7-8(2)17-13(10)16-11/h9H,5-8H2,1-4H3;7,9H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of N-butyl-2-ethyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine;N-cyclobutyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
N-butyl-2-ethyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine;N-cyclobutyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 510.78 g/mol, XLogP of 7.32, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-ethyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine;N-cyclobutyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 165100393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).