N,N-dimethyl-3-pyrrolo[2,3-d]pyrimidin-7-ylcyclobutan-1-amine;ethane

C14H22N4 — CID 162389083

IUPACN,N-dimethyl-3-pyrrolo[2,3-d]pyrimidin-7-ylcyclobutan-1-amine;ethane
SMILESCC.CN(C)C1CC(n2ccc3cncnc32)C1
InChIInChI=1S/C12H16N4.C2H6/c1-15(2)10-5-11(6-10)16-4-3-9-7-13-8-14-12(9)16;1-2/h3-4,7-8,10-11H,5-6H2,1-2H3;1-2H3
InChIKeyTVIXOIULAUTFHU-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.72
Rot. Bonds2

About N,N-dimethyl-3-pyrrolo[2,3-d]pyrimidin-7-ylcyclobutan-1-amine;ethane

N,N-dimethyl-3-pyrrolo[2,3-d]pyrimidin-7-ylcyclobutan-1-amine;ethane (PubChem CID 162389083) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N,N-dimethyl-3-pyrrolo[2,3-d]pyrimidin-7-ylcyclobutan-1-amine;ethane.

Molecular Properties

Compound NameN,N-dimethyl-3-pyrrolo[2,3-d]pyrimidin-7-ylcyclobutan-1-amine;ethane
PubChem CID162389083
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN,N-dimethyl-3-pyrrolo[2,3-d]pyrimidin-7-ylcyclobutan-1-amine;ethane
SMILESCC.CN(C)C1CC(n2ccc3cncnc32)C1
InChIInChI=1S/C12H16N4.C2H6/c1-15(2)10-5-11(6-10)16-4-3-9-7-13-8-14-12(9)16;1-2/h3-4,7-8,10-11H,5-6H2,1-2H3;1-2H3
InChIKeyTVIXOIULAUTFHU-UHFFFAOYSA-N
XLogP2.72
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-pyrrolo[2,3-d]pyrimidin-7-ylcyclobutan-1-amine;ethane?
The IUPAC name of N,N-dimethyl-3-pyrrolo[2,3-d]pyrimidin-7-ylcyclobutan-1-amine;ethane (CID 162389083) is N,N-dimethyl-3-pyrrolo[2,3-d]pyrimidin-7-ylcyclobutan-1-amine;ethane.
What is the SMILES notation for N,N-dimethyl-3-pyrrolo[2,3-d]pyrimidin-7-ylcyclobutan-1-amine;ethane?
The canonical SMILES for N,N-dimethyl-3-pyrrolo[2,3-d]pyrimidin-7-ylcyclobutan-1-amine;ethane is CC.CN(C)C1CC(n2ccc3cncnc32)C1.
What is the InChIKey of N,N-dimethyl-3-pyrrolo[2,3-d]pyrimidin-7-ylcyclobutan-1-amine;ethane?
The InChIKey is TVIXOIULAUTFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4.C2H6/c1-15(2)10-5-11(6-10)16-4-3-9-7-13-8-14-12(9)16;1-2/h3-4,7-8,10-11H,5-6H2,1-2H3;1-2H3.
What are the key properties of N,N-dimethyl-3-pyrrolo[2,3-d]pyrimidin-7-ylcyclobutan-1-amine;ethane?
N,N-dimethyl-3-pyrrolo[2,3-d]pyrimidin-7-ylcyclobutan-1-amine;ethane has a molecular weight of 246.36 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-pyrrolo[2,3-d]pyrimidin-7-ylcyclobutan-1-amine;ethane is sourced from PubChem (CID 162389083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).