4-methyl-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)pentane-1,2-diamine

C13H20N4S — CID 63760564

IUPAC4-methyl-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)pentane-1,2-diamine
SMILESCc1cc2c(NC(CN)CC(C)C)ncnc2s1
InChIInChI=1S/C13H20N4S/c1-8(2)4-10(6-14)17-12-11-5-9(3)18-13(11)16-7-15-12/h5,7-8,10H,4,6,14H2,1-3H3,(H,15,16,17)
InChIKeyUCXRURFODZSVLN-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.79
Rot. Bonds5

About 4-methyl-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)pentane-1,2-diamine

4-methyl-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)pentane-1,2-diamine (PubChem CID 63760564) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 4-methyl-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name4-methyl-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)pentane-1,2-diamine
PubChem CID63760564
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name4-methyl-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)pentane-1,2-diamine
SMILESCc1cc2c(NC(CN)CC(C)C)ncnc2s1
InChIInChI=1S/C13H20N4S/c1-8(2)4-10(6-14)17-12-11-5-9(3)18-13(11)16-7-15-12/h5,7-8,10H,4,6,14H2,1-3H3,(H,15,16,17)
InChIKeyUCXRURFODZSVLN-UHFFFAOYSA-N
XLogP2.79
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)pentane-1,2-diamine?
The IUPAC name of 4-methyl-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)pentane-1,2-diamine (CID 63760564) is 4-methyl-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)pentane-1,2-diamine.
What is the SMILES notation for 4-methyl-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)pentane-1,2-diamine?
The canonical SMILES for 4-methyl-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)pentane-1,2-diamine is Cc1cc2c(NC(CN)CC(C)C)ncnc2s1.
What is the InChIKey of 4-methyl-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)pentane-1,2-diamine?
The InChIKey is UCXRURFODZSVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-8(2)4-10(6-14)17-12-11-5-9(3)18-13(11)16-7-15-12/h5,7-8,10H,4,6,14H2,1-3H3,(H,15,16,17).
What are the key properties of 4-methyl-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)pentane-1,2-diamine?
4-methyl-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)pentane-1,2-diamine has a molecular weight of 264.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)pentane-1,2-diamine is sourced from PubChem (CID 63760564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).