1-N,4-dimethyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pentane-1,3-diamine

C13H21N5 — CID 139013756

IUPAC1-N,4-dimethyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)c1ncnc2[nH]ccc12
InChIInChI=1S/C13H21N5/c1-9(2)11(14)5-7-18(3)13-10-4-6-15-12(10)16-8-17-13/h4,6,8-9,11H,5,7,14H2,1-3H3,(H,15,16,17)
InChIKeyXZALLNUEVOXXPZ-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.77
Rot. Bonds5

About 1-N,4-dimethyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pentane-1,3-diamine

1-N,4-dimethyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pentane-1,3-diamine (PubChem CID 139013756) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 1-N,4-dimethyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pentane-1,3-diamine.

Molecular Properties

Compound Name1-N,4-dimethyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pentane-1,3-diamine
PubChem CID139013756
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name1-N,4-dimethyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)c1ncnc2[nH]ccc12
InChIInChI=1S/C13H21N5/c1-9(2)11(14)5-7-18(3)13-10-4-6-15-12(10)16-8-17-13/h4,6,8-9,11H,5,7,14H2,1-3H3,(H,15,16,17)
InChIKeyXZALLNUEVOXXPZ-UHFFFAOYSA-N
XLogP1.77
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol
CID 139004842
N-methyl-N-nonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 150826942
N-methyl-N-(2-phenoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 50950589
2-cyano-N-ethyl-N-[(2R)-2-methyl-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butyl]acetamide
CID 170367217
N-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 95135617
N-methyl-N-(4-propan-2-ylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 68679684
N-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110875032
N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 50966877
1-N-(7-methoxyisoquinolin-1-yl)-1-N,4-dimethylpentane-1,3-diamine
CID 106541030
N-methyl-N-(4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 22484511
N-[1-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]ethyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 146995534
N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 50968501

Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pentane-1,3-diamine?
The IUPAC name of 1-N,4-dimethyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pentane-1,3-diamine (CID 139013756) is 1-N,4-dimethyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pentane-1,3-diamine.
What is the SMILES notation for 1-N,4-dimethyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pentane-1,3-diamine?
The canonical SMILES for 1-N,4-dimethyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pentane-1,3-diamine is CC(C)C(N)CCN(C)c1ncnc2[nH]ccc12.
What is the InChIKey of 1-N,4-dimethyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pentane-1,3-diamine?
The InChIKey is XZALLNUEVOXXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-9(2)11(14)5-7-18(3)13-10-4-6-15-12(10)16-8-17-13/h4,6,8-9,11H,5,7,14H2,1-3H3,(H,15,16,17).
What are the key properties of 1-N,4-dimethyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pentane-1,3-diamine?
1-N,4-dimethyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pentane-1,3-diamine has a molecular weight of 247.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pentane-1,3-diamine is sourced from PubChem (CID 139013756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).