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

C13H21N5 — CID 110430242

IUPACN',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNc1ncnc2[nH]c(C)cc12
InChIInChI=1S/C13H21N5/c1-4-18(5-2)7-6-14-12-11-8-10(3)17-13(11)16-9-15-12/h8-9H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyUHTSKIXTHRVJFT-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.02
Rot. Bonds6

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

N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 110430242) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
PubChem CID110430242
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNc1ncnc2[nH]c(C)cc12
InChIInChI=1S/C13H21N5/c1-4-18(5-2)7-6-14-12-11-8-10(3)17-13(11)16-9-15-12/h8-9H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyUHTSKIXTHRVJFT-UHFFFAOYSA-N
XLogP2.02
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 110430335
N-butyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430104
N-butan-2-yl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430106
N-(3-methoxypropyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430140
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-methylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 63734759
N-(6,7-dimethoxyquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 21002974
6-methyl-N-(3-propan-2-yloxypropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430251
N',N'-diethyl-N-(6-iodoquinazolin-4-yl)ethane-1,2-diamine
CID 23734239
4-N-[2-(diethylamino)ethyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80770786
2-methyl-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 110430143

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine (CID 110430242) is N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine is CCN(CC)CCNc1ncnc2[nH]c(C)cc12.
What is the InChIKey of N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is UHTSKIXTHRVJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-4-18(5-2)7-6-14-12-11-8-10(3)17-13(11)16-9-15-12/h8-9H,4-7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 247.35 g/mol, XLogP of 2.02, 6 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)ethane-1,2-diamine is sourced from PubChem (CID 110430242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).