2-hydroxy-3-[[2-(propylamino)-7H-purin-6-yl]amino]propanamide

C11H17N7O2 — CID 106179008

IUPAC2-hydroxy-3-[[2-(propylamino)-7H-purin-6-yl]amino]propanamide
SMILESCCCNc1nc(NCC(O)C(N)=O)c2[nH]cnc2n1
InChIInChI=1S/C11H17N7O2/c1-2-3-13-11-17-9(14-4-6(19)8(12)20)7-10(18-11)16-5-15-7/h5-6,19H,2-4H2,1H3,(H2,12,20)(H3,13,14,15,16,17,18)
InChIKeyCAJZAZHIXAZATB-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.57
Rot. Bonds7

About 2-hydroxy-3-[[2-(propylamino)-7H-purin-6-yl]amino]propanamide

2-hydroxy-3-[[2-(propylamino)-7H-purin-6-yl]amino]propanamide (PubChem CID 106179008) has the molecular formula C11H17N7O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-hydroxy-3-[[2-(propylamino)-7H-purin-6-yl]amino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[[2-(propylamino)-7H-purin-6-yl]amino]propanamide
PubChem CID106179008
Molecular FormulaC11H17N7O2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC Name2-hydroxy-3-[[2-(propylamino)-7H-purin-6-yl]amino]propanamide
SMILESCCCNc1nc(NCC(O)C(N)=O)c2[nH]cnc2n1
InChIInChI=1S/C11H17N7O2/c1-2-3-13-11-17-9(14-4-6(19)8(12)20)7-10(18-11)16-5-15-7/h5-6,19H,2-4H2,1H3,(H2,12,20)(H3,13,14,15,16,17,18)
InChIKeyCAJZAZHIXAZATB-UHFFFAOYSA-N
XLogP-0.57
TPSA141.84 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[2-(propylamino)-7H-purin-6-yl]amino]propan-2-ol
CID 114783868
2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
3-methyl-3-[[2-(propylamino)-7H-purin-6-yl]amino]butanamide
CID 106098807
6-N-(2,2-dimethylpropyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114784070
2-methyl-2-[[2-(propylamino)-7H-purin-6-yl]amino]propane-1,3-diol
CID 114785802
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
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
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
2-hydroxy-3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide
CID 106178963

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[2-(propylamino)-7H-purin-6-yl]amino]propanamide?
The IUPAC name of 2-hydroxy-3-[[2-(propylamino)-7H-purin-6-yl]amino]propanamide (CID 106179008) is 2-hydroxy-3-[[2-(propylamino)-7H-purin-6-yl]amino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[[2-(propylamino)-7H-purin-6-yl]amino]propanamide?
The canonical SMILES for 2-hydroxy-3-[[2-(propylamino)-7H-purin-6-yl]amino]propanamide is CCCNc1nc(NCC(O)C(N)=O)c2[nH]cnc2n1.
What is the InChIKey of 2-hydroxy-3-[[2-(propylamino)-7H-purin-6-yl]amino]propanamide?
The InChIKey is CAJZAZHIXAZATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O2/c1-2-3-13-11-17-9(14-4-6(19)8(12)20)7-10(18-11)16-5-15-7/h5-6,19H,2-4H2,1H3,(H2,12,20)(H3,13,14,15,16,17,18).
What are the key properties of 2-hydroxy-3-[[2-(propylamino)-7H-purin-6-yl]amino]propanamide?
2-hydroxy-3-[[2-(propylamino)-7H-purin-6-yl]amino]propanamide has a molecular weight of 279.30 g/mol, XLogP of -0.57, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[2-(propylamino)-7H-purin-6-yl]amino]propanamide is sourced from PubChem (CID 106179008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).