N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,3-diamine

C14H23N5 — CID 110430335

IUPACN',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
SMILESCCN(CC)CCCNc1ncnc2[nH]c(C)cc12
InChIInChI=1S/C14H23N5/c1-4-19(5-2)8-6-7-15-13-12-9-11(3)18-14(12)17-10-16-13/h9-10H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyOEMVROLTBHYRQM-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.41
Rot. Bonds7

About N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,3-diamine

N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,3-diamine (PubChem CID 110430335) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
PubChem CID110430335
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
SMILESCCN(CC)CCCNc1ncnc2[nH]c(C)cc12
InChIInChI=1S/C14H23N5/c1-4-19(5-2)8-6-7-15-13-12-9-11(3)18-14(12)17-10-16-13/h9-10H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyOEMVROLTBHYRQM-UHFFFAOYSA-N
XLogP2.41
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 110430242
N-butyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430104
N-(3-methoxypropyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430140
6-methyl-N-(3-propan-2-yloxypropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430251
4-N-[3-(diethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80777327
N',N'-diethyl-N-(6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 91961243
N-butan-2-yl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430106
N-[2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide
CID 110430172
6-methyl-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430105
N-(6-chloro-5-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 55229294
N',N'-diethyl-N-(7-methoxyquinazolin-4-yl)butane-1,4-diamine
CID 21003124
N',N'-diethyl-N-[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]propane-1,3-diamine
CID 155728509

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,3-diamine (CID 110430335) is N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,3-diamine is CCN(CC)CCCNc1ncnc2[nH]c(C)cc12.
What is the InChIKey of N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is OEMVROLTBHYRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-4-19(5-2)8-6-7-15-13-12-9-11(3)18-14(12)17-10-16-13/h9-10H,4-8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,3-diamine?
N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 261.37 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 110430335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).