N-[[3-(2-chloropyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C17H18ClN7 — CID 78137644

IUPACN-[[3-(2-chloropyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(CC1C2CN(c3ccnc(Cl)n3)CC12)c1ncnc2[nH]ccc12
InChIInChI=1S/C17H18ClN7/c1-24(16-10-2-4-19-15(10)21-9-22-16)6-11-12-7-25(8-13(11)12)14-3-5-20-17(18)23-14/h2-5,9,11-13H,6-8H2,1H3,(H,19,21,22)
InChIKeyQENXBAUHRNTLRH-UHFFFAOYSA-N
MW355.83 g/mol
LogP2.22
Rot. Bonds4

About N-[[3-(2-chloropyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[[3-(2-chloropyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 78137644) has the molecular formula C17H18ClN7 and a molecular weight of 355.83 g/mol. Its IUPAC name is N-[[3-(2-chloropyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-(2-chloropyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID78137644
Molecular FormulaC17H18ClN7
Molecular Weight355.83 g/mol
Exact Mass355.13
IUPAC NameN-[[3-(2-chloropyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(CC1C2CN(c3ccnc(Cl)n3)CC12)c1ncnc2[nH]ccc12
InChIInChI=1S/C17H18ClN7/c1-24(16-10-2-4-19-15(10)21-9-22-16)6-11-12-7-25(8-13(11)12)14-3-5-20-17(18)23-14/h2-5,9,11-13H,6-8H2,1H3,(H,19,21,22)
InChIKeyQENXBAUHRNTLRH-UHFFFAOYSA-N
XLogP2.22
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[3-(2-chloropyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[(3aR)-2-(2,6-dichloropyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 135191156
N-(1-benzylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 78038889
N-methyl-N-nonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 150826942
2-[methyl-[[2-[[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methyl]amino]acetonitrile
CID 123258623
4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol
CID 139004842
1-N,4-dimethyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pentane-1,3-diamine
CID 139013756
N-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110875032
5-fluoro-N,6-dimethyl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine
CID 155974837
1-[1-(2-chloropyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 62344447
N-methyl-N-(2-phenoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 50950589
5-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfinate
CID 135190947
N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 171327427

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-chloropyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[[3-(2-chloropyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 78137644) is N-[[3-(2-chloropyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[3-(2-chloropyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[[3-(2-chloropyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CN(CC1C2CN(c3ccnc(Cl)n3)CC12)c1ncnc2[nH]ccc12.
What is the InChIKey of N-[[3-(2-chloropyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is QENXBAUHRNTLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN7/c1-24(16-10-2-4-19-15(10)21-9-22-16)6-11-12-7-25(8-13(11)12)14-3-5-20-17(18)23-14/h2-5,9,11-13H,6-8H2,1H3,(H,19,21,22).
What are the key properties of N-[[3-(2-chloropyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[[3-(2-chloropyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 355.83 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-chloropyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 78137644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).