4-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]cyclohexan-1-ol

C19H33N7O — CID 117078910

IUPAC4-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]cyclohexan-1-ol
SMILESCC(C)N(CCNc1nc(NC2CCC(O)CC2)nc2nc[nH]c12)C(C)C
InChIInChI=1S/C19H33N7O/c1-12(2)26(13(3)4)10-9-20-17-16-18(22-11-21-16)25-19(24-17)23-14-5-7-15(27)8-6-14/h11-15,27H,5-10H2,1-4H3,(H3,20,21,22,23,24,25)
InChIKeyGEGMTQMAUCRYTA-UHFFFAOYSA-N
MW375.52 g/mol
LogP2.60
Rot. Bonds8

About 4-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]cyclohexan-1-ol

4-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]cyclohexan-1-ol (PubChem CID 117078910) has the molecular formula C19H33N7O and a molecular weight of 375.52 g/mol. Its IUPAC name is 4-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]cyclohexan-1-ol
PubChem CID117078910
Molecular FormulaC19H33N7O
Molecular Weight375.52 g/mol
Exact Mass375.27
IUPAC Name4-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]cyclohexan-1-ol
SMILESCC(C)N(CCNc1nc(NC2CCC(O)CC2)nc2nc[nH]c12)C(C)C
InChIInChI=1S/C19H33N7O/c1-12(2)26(13(3)4)10-9-20-17-16-18(22-11-21-16)25-19(24-17)23-14-5-7-15(27)8-6-14/h11-15,27H,5-10H2,1-4H3,(H3,20,21,22,23,24,25)
InChIKeyGEGMTQMAUCRYTA-UHFFFAOYSA-N
XLogP2.60
TPSA101.99 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 52.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

1-[3-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]propyl]pyrrolidin-2-one
CID 117078992
6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propyl-7H-purine-2,6-diamine
CID 114785089
3-[[2-(propylamino)-7H-purin-6-yl]amino]cyclobutan-1-ol
CID 114785530
6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine
CID 114783648
2-N-(4-aminocyclohexyl)-6-N-cyclopentyl-7H-purine-2,6-diamine
CID 141001606
1-[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]-N,N-diethylpiperidine-3-carboxamide
CID 117079756
3-[[[2-(propylamino)-7H-purin-6-yl]amino]methyl]cyclobutan-1-ol
CID 114785534
2-N-(4-aminocyclohexyl)-6-N-[2-(benzylamino)ethyl]-7H-purine-2,6-diamine;hydrochloride
CID 159115587
4-[(2-amino-7H-purin-6-yl)amino]cyclohexan-1-ol
CID 104623891
6-N-[2-(diethylamino)ethyl]-2-N-ethyl-7H-purine-2,6-diamine
CID 114783663
2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
6-N-(4-ethylcyclohexyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114784239

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]cyclohexan-1-ol (CID 117078910) is 4-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]cyclohexan-1-ol is CC(C)N(CCNc1nc(NC2CCC(O)CC2)nc2nc[nH]c12)C(C)C.
What is the InChIKey of 4-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is GEGMTQMAUCRYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N7O/c1-12(2)26(13(3)4)10-9-20-17-16-18(22-11-21-16)25-19(24-17)23-14-5-7-15(27)8-6-14/h11-15,27H,5-10H2,1-4H3,(H3,20,21,22,23,24,25).
What are the key properties of 4-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]cyclohexan-1-ol?
4-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 375.52 g/mol, XLogP of 2.60, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 117078910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).