6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propyl-7H-purine-2,6-diamine

C14H23N7 — CID 114785089

IUPAC6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propyl-7H-purine-2,6-diamine
SMILESCCCNc1nc(NCCN(C)C2CC2)c2[nH]cnc2n1
InChIInChI=1S/C14H23N7/c1-3-6-16-14-19-12(11-13(20-14)18-9-17-11)15-7-8-21(2)10-4-5-10/h9-10H,3-8H2,1-2H3,(H3,15,16,17,18,19,20)
InChIKeyPFCBQZSIDAXTJI-UHFFFAOYSA-N
MW289.39 g/mol
LogP1.68
Rot. Bonds8

About 6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propyl-7H-purine-2,6-diamine

6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propyl-7H-purine-2,6-diamine (PubChem CID 114785089) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propyl-7H-purine-2,6-diamine
PubChem CID114785089
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propyl-7H-purine-2,6-diamine
SMILESCCCNc1nc(NCCN(C)C2CC2)c2[nH]cnc2n1
InChIInChI=1S/C14H23N7/c1-3-6-16-14-19-12(11-13(20-14)18-9-17-11)15-7-8-21(2)10-4-5-10/h9-10H,3-8H2,1-2H3,(H3,15,16,17,18,19,20)
InChIKeyPFCBQZSIDAXTJI-UHFFFAOYSA-N
XLogP1.68
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
6-N-(2-methoxyethyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783641
6-N-(2,2-dimethylpropyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114784070
2-N-propyl-6-N-(thian-4-ylmethyl)-7H-purine-2,6-diamine
CID 114786418
1-[[2-(propylamino)-7H-purin-6-yl]amino]propan-2-ol
CID 114783868
3-[[[2-(propylamino)-7H-purin-6-yl]amino]methyl]cyclobutan-1-ol
CID 114785534
6-N-[2-(diethylamino)ethyl]-2-N-ethyl-7H-purine-2,6-diamine
CID 114783663
6-N-(cyclopropylmethyl)-6-N-methyl-2-N-propyl-7H-purine-2,6-diamine
CID 114784058
6-N-(2-methylbutan-2-yl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783401
3-[[2-(propylamino)-7H-purin-6-yl]amino]cyclobutan-1-ol
CID 114785530
6-N-(1-methylcyclopentyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114785405
6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-N-propyl-7H-purine-2,6-diamine
CID 106411749

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propyl-7H-purine-2,6-diamine (CID 114785089) is 6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propyl-7H-purine-2,6-diamine is CCCNc1nc(NCCN(C)C2CC2)c2[nH]cnc2n1.
What is the InChIKey of 6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propyl-7H-purine-2,6-diamine?
The InChIKey is PFCBQZSIDAXTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-3-6-16-14-19-12(11-13(20-14)18-9-17-11)15-7-8-21(2)10-4-5-10/h9-10H,3-8H2,1-2H3,(H3,15,16,17,18,19,20).
What are the key properties of 6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propyl-7H-purine-2,6-diamine?
6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propyl-7H-purine-2,6-diamine has a molecular weight of 289.39 g/mol, XLogP of 1.68, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propyl-7H-purine-2,6-diamine is sourced from PubChem (CID 114785089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).