2,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine

C14H20N4S — CID 80808300

IUPAC2,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
SMILESCCCC(Nc1nc(C)nc(N)c1C)c1cccs1
InChIInChI=1S/C14H20N4S/c1-4-6-11(12-7-5-8-19-12)18-14-9(2)13(15)16-10(3)17-14/h5,7-8,11H,4,6H2,1-3H3,(H3,15,16,17,18)
InChIKeyZLNUTFYVXIPCMO-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.69
Rot. Bonds5

About 2,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine

2,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine (PubChem CID 80808300) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 2,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
PubChem CID80808300
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name2,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
SMILESCCCC(Nc1nc(C)nc(N)c1C)c1cccs1
InChIInChI=1S/C14H20N4S/c1-4-6-11(12-7-5-8-19-12)18-14-9(2)13(15)16-10(3)17-14/h5,7-8,11H,4,6H2,1-3H3,(H3,15,16,17,18)
InChIKeyZLNUTFYVXIPCMO-UHFFFAOYSA-N
XLogP3.69
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
CID 80986238
3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine
CID 102984016
6-hydrazinyl-2,5-dimethyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 80896820
1,3,6-trimethyl-N-[(1S)-1-thiophen-2-ylbutyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95873901
1,3,6-trimethyl-N-[(1R)-1-thiophen-2-ylbutyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95873902
5-methyl-2-N-(1-thiophen-2-ylbutyl)pyridine-2,3-diamine
CID 66279967
6-chloro-4,5-dimethyl-N-(1-thiophen-2-ylbutyl)pyridazin-3-amine
CID 63271983
3,5-dichloro-6-hydrazinyl-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 102761807
6-methyl-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 54962999
2-N,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807804
6-methoxy-5-methyl-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine
CID 66326238
3,5-dichloro-2-N-methyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine
CID 102757081

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine?
The IUPAC name of 2,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine (CID 80808300) is 2,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine is CCCC(Nc1nc(C)nc(N)c1C)c1cccs1.
What is the InChIKey of 2,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine?
The InChIKey is ZLNUTFYVXIPCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-4-6-11(12-7-5-8-19-12)18-14-9(2)13(15)16-10(3)17-14/h5,7-8,11H,4,6H2,1-3H3,(H3,15,16,17,18).
What are the key properties of 2,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine?
2,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine has a molecular weight of 276.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80808300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).