1-[[2-(propylamino)-7H-purin-6-yl]amino]propan-2-ol

C11H18N6O — CID 114783868

IUPAC1-[[2-(propylamino)-7H-purin-6-yl]amino]propan-2-ol
SMILESCCCNc1nc(NCC(C)O)c2[nH]cnc2n1
InChIInChI=1S/C11H18N6O/c1-3-4-12-11-16-9(13-5-7(2)18)8-10(17-11)15-6-14-8/h6-7,18H,3-5H2,1-2H3,(H3,12,13,14,15,16,17)
InChIKeySEEYTAFAAJWJTP-UHFFFAOYSA-N
MW250.31 g/mol
LogP0.97
Rot. Bonds6

About 1-[[2-(propylamino)-7H-purin-6-yl]amino]propan-2-ol

1-[[2-(propylamino)-7H-purin-6-yl]amino]propan-2-ol (PubChem CID 114783868) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-[[2-(propylamino)-7H-purin-6-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[2-(propylamino)-7H-purin-6-yl]amino]propan-2-ol
PubChem CID114783868
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name1-[[2-(propylamino)-7H-purin-6-yl]amino]propan-2-ol
SMILESCCCNc1nc(NCC(C)O)c2[nH]cnc2n1
InChIInChI=1S/C11H18N6O/c1-3-4-12-11-16-9(13-5-7(2)18)8-10(17-11)15-6-14-8/h6-7,18H,3-5H2,1-2H3,(H3,12,13,14,15,16,17)
InChIKeySEEYTAFAAJWJTP-UHFFFAOYSA-N
XLogP0.97
TPSA98.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
2-hydroxy-3-[[2-(propylamino)-7H-purin-6-yl]amino]propanamide
CID 106179008
6-N-(2,2-dimethylpropyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114784070
6-N-(2-methoxyethyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783641
6-N-(2-methylbutan-2-yl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783401
2-methyl-2-[[2-(propylamino)-7H-purin-6-yl]amino]propane-1,3-diol
CID 114785802
3-ethyl-1-[[2-(ethylamino)-7H-purin-6-yl]amino]pentan-2-ol
CID 106288919
3-[[[2-(propylamino)-7H-purin-6-yl]amino]methyl]cyclobutan-1-ol
CID 114785534
6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propyl-7H-purine-2,6-diamine
CID 114785089
2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine
CID 114786528
3-[[2-(propylamino)-7H-purin-6-yl]amino]cyclobutan-1-ol
CID 114785530
6-propan-2-yloxy-N-propyl-7H-purin-2-amine
CID 114786891

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(propylamino)-7H-purin-6-yl]amino]propan-2-ol?
The IUPAC name of 1-[[2-(propylamino)-7H-purin-6-yl]amino]propan-2-ol (CID 114783868) is 1-[[2-(propylamino)-7H-purin-6-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[2-(propylamino)-7H-purin-6-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[2-(propylamino)-7H-purin-6-yl]amino]propan-2-ol is CCCNc1nc(NCC(C)O)c2[nH]cnc2n1.
What is the InChIKey of 1-[[2-(propylamino)-7H-purin-6-yl]amino]propan-2-ol?
The InChIKey is SEEYTAFAAJWJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c1-3-4-12-11-16-9(13-5-7(2)18)8-10(17-11)15-6-14-8/h6-7,18H,3-5H2,1-2H3,(H3,12,13,14,15,16,17).
What are the key properties of 1-[[2-(propylamino)-7H-purin-6-yl]amino]propan-2-ol?
1-[[2-(propylamino)-7H-purin-6-yl]amino]propan-2-ol has a molecular weight of 250.31 g/mol, XLogP of 0.97, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(propylamino)-7H-purin-6-yl]amino]propan-2-ol is sourced from PubChem (CID 114783868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).