6-N-cyclopropyl-8-N-(4-morpholin-4-ylphenyl)-7H-purine-6,8-diamine

C18H21N7O — CID 117092148

IUPAC6-N-cyclopropyl-8-N-(4-morpholin-4-ylphenyl)-7H-purine-6,8-diamine
SMILESc1nc(NC2CC2)c2[nH]c(Nc3ccc(N4CCOCC4)cc3)nc2n1
InChIInChI=1S/C18H21N7O/c1-2-12(1)21-16-15-17(20-11-19-16)24-18(23-15)22-13-3-5-14(6-4-13)25-7-9-26-10-8-25/h3-6,11-12H,1-2,7-10H2,(H3,19,20,21,22,23,24)
InChIKeyHRMVLOIJRFYUCE-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.51
Rot. Bonds5

About 6-N-cyclopropyl-8-N-(4-morpholin-4-ylphenyl)-7H-purine-6,8-diamine

6-N-cyclopropyl-8-N-(4-morpholin-4-ylphenyl)-7H-purine-6,8-diamine (PubChem CID 117092148) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-N-cyclopropyl-8-N-(4-morpholin-4-ylphenyl)-7H-purine-6,8-diamine.

Molecular Properties

Compound Name6-N-cyclopropyl-8-N-(4-morpholin-4-ylphenyl)-7H-purine-6,8-diamine
PubChem CID117092148
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name6-N-cyclopropyl-8-N-(4-morpholin-4-ylphenyl)-7H-purine-6,8-diamine
SMILESc1nc(NC2CC2)c2[nH]c(Nc3ccc(N4CCOCC4)cc3)nc2n1
InChIInChI=1S/C18H21N7O/c1-2-12(1)21-16-15-17(20-11-19-16)24-18(23-15)22-13-3-5-14(6-4-13)25-7-9-26-10-8-25/h3-6,11-12H,1-2,7-10H2,(H3,19,20,21,22,23,24)
InChIKeyHRMVLOIJRFYUCE-UHFFFAOYSA-N
XLogP2.51
TPSA90.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-methyl-N-(4-morpholin-4-ylphenyl)-1H-benzimidazol-2-amine
CID 110376992
4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4,5-triamine
CID 58786809
4-N-cyclobutyl-2-N-(4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 70657969
4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropteridine-2,4-diamine
CID 143049590
4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 11710471
1-[4-[[2-(4-morpholin-4-ylanilino)-7H-purin-6-yl]amino]piperidin-1-yl]ethanone
CID 59160532
6-N-[(4S)-dithian-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine
CID 146282299
6-N-(1-benzylpiperidin-4-yl)-8-N-(1-methylbenzimidazol-2-yl)-7H-purine-6,8-diamine
CID 117094563
4-(4-morpholin-4-ylanilino)-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one
CID 91961610
4-chloro-6-(4-morpholin-4-ylanilino)pyrimidine-5-carbonitrile
CID 87644759
6-N-cyclohexyl-2-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;hydrochloride
CID 91895225
N-[(3E,5Z)-6-amino-3-[6-(4-morpholin-4-ylanilino)-7H-purin-8-yl]hexa-1,3,5-trien-2-yl]-N-methylmethanesulfonamide
CID 89419462

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopropyl-8-N-(4-morpholin-4-ylphenyl)-7H-purine-6,8-diamine?
The IUPAC name of 6-N-cyclopropyl-8-N-(4-morpholin-4-ylphenyl)-7H-purine-6,8-diamine (CID 117092148) is 6-N-cyclopropyl-8-N-(4-morpholin-4-ylphenyl)-7H-purine-6,8-diamine.
What is the SMILES notation for 6-N-cyclopropyl-8-N-(4-morpholin-4-ylphenyl)-7H-purine-6,8-diamine?
The canonical SMILES for 6-N-cyclopropyl-8-N-(4-morpholin-4-ylphenyl)-7H-purine-6,8-diamine is c1nc(NC2CC2)c2[nH]c(Nc3ccc(N4CCOCC4)cc3)nc2n1.
What is the InChIKey of 6-N-cyclopropyl-8-N-(4-morpholin-4-ylphenyl)-7H-purine-6,8-diamine?
The InChIKey is HRMVLOIJRFYUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-2-12(1)21-16-15-17(20-11-19-16)24-18(23-15)22-13-3-5-14(6-4-13)25-7-9-26-10-8-25/h3-6,11-12H,1-2,7-10H2,(H3,19,20,21,22,23,24).
What are the key properties of 6-N-cyclopropyl-8-N-(4-morpholin-4-ylphenyl)-7H-purine-6,8-diamine?
6-N-cyclopropyl-8-N-(4-morpholin-4-ylphenyl)-7H-purine-6,8-diamine has a molecular weight of 351.41 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopropyl-8-N-(4-morpholin-4-ylphenyl)-7H-purine-6,8-diamine is sourced from PubChem (CID 117092148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).