4-N-(cyclohexylmethyl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine

C14H20N4S — CID 103325760

IUPAC4-N-(cyclohexylmethyl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCN(CC1CCCCC1)c1nc(N)nc2sccc12
InChIInChI=1S/C14H20N4S/c1-18(9-10-5-3-2-4-6-10)12-11-7-8-19-13(11)17-14(15)16-12/h7-8,10H,2-6,9H2,1H3,(H2,15,16,17)
InChIKeyOAPQDGPAPMDNFR-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.29
Rot. Bonds3

About 4-N-(cyclohexylmethyl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-(cyclohexylmethyl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103325760) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 4-N-(cyclohexylmethyl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(cyclohexylmethyl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103325760
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name4-N-(cyclohexylmethyl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCN(CC1CCCCC1)c1nc(N)nc2sccc12
InChIInChI=1S/C14H20N4S/c1-18(9-10-5-3-2-4-6-10)12-11-7-8-19-13(11)17-14(15)16-12/h7-8,10H,2-6,9H2,1H3,(H2,15,16,17)
InChIKeyOAPQDGPAPMDNFR-UHFFFAOYSA-N
XLogP3.29
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclohexylmethyl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(cyclohexylmethyl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103325760) is 4-N-(cyclohexylmethyl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(cyclohexylmethyl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(cyclohexylmethyl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine is CN(CC1CCCCC1)c1nc(N)nc2sccc12.
What is the InChIKey of 4-N-(cyclohexylmethyl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is OAPQDGPAPMDNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-18(9-10-5-3-2-4-6-10)12-11-7-8-19-13(11)17-14(15)16-12/h7-8,10H,2-6,9H2,1H3,(H2,15,16,17).
What are the key properties of 4-N-(cyclohexylmethyl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(cyclohexylmethyl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 276.41 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclohexylmethyl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103325760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).