6-N-cyclopropyl-2-N-methyl-6-N-(thiophen-3-ylmethyl)-7H-purine-2,6-diamine

C14H16N6S — CID 114784145

IUPAC6-N-cyclopropyl-2-N-methyl-6-N-(thiophen-3-ylmethyl)-7H-purine-2,6-diamine
SMILESCNc1nc(N(Cc2ccsc2)C2CC2)c2[nH]cnc2n1
InChIInChI=1S/C14H16N6S/c1-15-14-18-12-11(16-8-17-12)13(19-14)20(10-2-3-10)6-9-4-5-21-7-9/h4-5,7-8,10H,2-3,6H2,1H3,(H2,15,16,17,18,19)
InChIKeyPPDHTPZLZBRTGU-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.63
Rot. Bonds5

About 6-N-cyclopropyl-2-N-methyl-6-N-(thiophen-3-ylmethyl)-7H-purine-2,6-diamine

6-N-cyclopropyl-2-N-methyl-6-N-(thiophen-3-ylmethyl)-7H-purine-2,6-diamine (PubChem CID 114784145) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is 6-N-cyclopropyl-2-N-methyl-6-N-(thiophen-3-ylmethyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclopropyl-2-N-methyl-6-N-(thiophen-3-ylmethyl)-7H-purine-2,6-diamine
PubChem CID114784145
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC Name6-N-cyclopropyl-2-N-methyl-6-N-(thiophen-3-ylmethyl)-7H-purine-2,6-diamine
SMILESCNc1nc(N(Cc2ccsc2)C2CC2)c2[nH]cnc2n1
InChIInChI=1S/C14H16N6S/c1-15-14-18-12-11(16-8-17-12)13(19-14)20(10-2-3-10)6-9-4-5-21-7-9/h4-5,7-8,10H,2-3,6H2,1H3,(H2,15,16,17,18,19)
InChIKeyPPDHTPZLZBRTGU-UHFFFAOYSA-N
XLogP2.63
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-cyclopropyl-2-N-methyl-6-N-(thiophen-3-ylmethyl)-7H-purine-2,6-diamine with MolForge

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Related Compounds

6-N,6-N-diethyl-2-N-methyl-7H-purine-2,6-diamine
CID 114783569
2-N,6-N-dimethyl-6-N-(1-methylpiperidin-4-yl)-7H-purine-2,6-diamine
CID 114783544
N-cyclopropyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)pyrazin-2-amine
CID 107379600
2-N,6-N-dimethyl-6-N-(oxan-4-ylmethyl)-7H-purine-2,6-diamine
CID 114785237
6-N-cyclopropyl-2-N-ethyl-6-N-methyl-7H-purine-2,6-diamine
CID 114783774
6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine
CID 114784841
6-chloro-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 63729453
N-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)pyrimidin-2-amine
CID 83185445
2-N-ethyl-6-N-(thiophen-3-ylmethyl)-7H-purine-2,6-diamine
CID 114785152
2-N-methyl-6-N-(1-thiophen-3-ylethyl)-7H-purine-2,6-diamine
CID 114785052
5-(bromomethyl)-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 107081264
N-cyclopropyl-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 56799553

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopropyl-2-N-methyl-6-N-(thiophen-3-ylmethyl)-7H-purine-2,6-diamine?
The IUPAC name of 6-N-cyclopropyl-2-N-methyl-6-N-(thiophen-3-ylmethyl)-7H-purine-2,6-diamine (CID 114784145) is 6-N-cyclopropyl-2-N-methyl-6-N-(thiophen-3-ylmethyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-cyclopropyl-2-N-methyl-6-N-(thiophen-3-ylmethyl)-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-cyclopropyl-2-N-methyl-6-N-(thiophen-3-ylmethyl)-7H-purine-2,6-diamine is CNc1nc(N(Cc2ccsc2)C2CC2)c2[nH]cnc2n1.
What is the InChIKey of 6-N-cyclopropyl-2-N-methyl-6-N-(thiophen-3-ylmethyl)-7H-purine-2,6-diamine?
The InChIKey is PPDHTPZLZBRTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c1-15-14-18-12-11(16-8-17-12)13(19-14)20(10-2-3-10)6-9-4-5-21-7-9/h4-5,7-8,10H,2-3,6H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 6-N-cyclopropyl-2-N-methyl-6-N-(thiophen-3-ylmethyl)-7H-purine-2,6-diamine?
6-N-cyclopropyl-2-N-methyl-6-N-(thiophen-3-ylmethyl)-7H-purine-2,6-diamine has a molecular weight of 300.39 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopropyl-2-N-methyl-6-N-(thiophen-3-ylmethyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 114784145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).