N'-(9-methylpurin-6-yl)propane-1,3-diamine

C9H14N6 — CID 83833396

IUPACN'-(9-methylpurin-6-yl)propane-1,3-diamine
SMILESCn1cnc2c(NCCCN)ncnc21
InChIInChI=1S/C9H14N6/c1-15-6-14-7-8(11-4-2-3-10)12-5-13-9(7)15/h5-6H,2-4,10H2,1H3,(H,11,12,13)
InChIKeyZZUDVBWYNGCXFI-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.12
Rot. Bonds4

About N'-(9-methylpurin-6-yl)propane-1,3-diamine

N'-(9-methylpurin-6-yl)propane-1,3-diamine (PubChem CID 83833396) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is N'-(9-methylpurin-6-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(9-methylpurin-6-yl)propane-1,3-diamine
PubChem CID83833396
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC NameN'-(9-methylpurin-6-yl)propane-1,3-diamine
SMILESCn1cnc2c(NCCCN)ncnc21
InChIInChI=1S/C9H14N6/c1-15-6-14-7-8(11-4-2-3-10)12-5-13-9(7)15/h5-6H,2-4,10H2,1H3,(H,11,12,13)
InChIKeyZZUDVBWYNGCXFI-UHFFFAOYSA-N
XLogP0.12
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(9-methylpurin-6-yl)amino]propanoic acid
CID 14161254
N-[2-(4-chlorophenyl)ethyl]-9-methylpurin-6-amine
CID 163344769
N'-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)hexane-1,6-diamine
CID 70751320
N-[2-(furan-2-yl)-2-methoxyethyl]-9-methylpurin-6-amine
CID 172904500
[3-[[(9-methylpurin-6-yl)amino]methyl]phenyl]methanol
CID 154735606
N'-(1-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,3-diamine
CID 83833748
tert-butyl N-[2-[[9-(4-aminobutyl)purin-6-yl]amino]ethyl]carbamate;tert-butyl N-[2-[(9-pentylpurin-6-yl)amino]ethyl]carbamate
CID 162004340
N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
CID 83838471
[(6R)-4-[6-(4-aminobutylamino)purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 163889895
2-(furan-2-yl)-1-[(9-methylpurin-6-yl)amino]propan-2-ol
CID 139023673
9-methyl-N-phenylmethoxypurin-6-amine
CID 14602815
9-cyclopentyl-N-pentylpurin-6-amine
CID 142647479

Frequently Asked Questions

What is the IUPAC name of N'-(9-methylpurin-6-yl)propane-1,3-diamine?
The IUPAC name of N'-(9-methylpurin-6-yl)propane-1,3-diamine (CID 83833396) is N'-(9-methylpurin-6-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(9-methylpurin-6-yl)propane-1,3-diamine?
The canonical SMILES for N'-(9-methylpurin-6-yl)propane-1,3-diamine is Cn1cnc2c(NCCCN)ncnc21.
What is the InChIKey of N'-(9-methylpurin-6-yl)propane-1,3-diamine?
The InChIKey is ZZUDVBWYNGCXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-15-6-14-7-8(11-4-2-3-10)12-5-13-9(7)15/h5-6H,2-4,10H2,1H3,(H,11,12,13).
What are the key properties of N'-(9-methylpurin-6-yl)propane-1,3-diamine?
N'-(9-methylpurin-6-yl)propane-1,3-diamine has a molecular weight of 206.25 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(9-methylpurin-6-yl)propane-1,3-diamine is sourced from PubChem (CID 83833396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).